AI67442
1397-89-3 | Amphotericin b
Manufacturer: A2B Chem
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CatalogNumber
AI67442
ChemicalName
Amphotericin b
CasNumber
1397-89-3
MolecularFormula
C47H73NO17
MolecularWeight
924.079
MdlNumber
MFCD00877763
Smiles
O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)N)O)C(=O)O
Complexity
1670
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
19
DefinedBondStereocenterCount
7
HeavyAtomCount
65
HydrogenBondAcceptorCount
18
HydrogenBondDonorCount
12
RotatableBondCount
3
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CatalogNumber: AI67442
ChemicalName: Amphotericin b
CasNumber: 1397-89-3
MolecularFormula: C47H73NO17
MolecularWeight: 924.079
MdlNumber: MFCD00877763
Smiles: O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)N)O)C(=O)O
Complexity: 1670
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 19
DefinedBondStereocenterCount: 7
HeavyAtomCount: 65
HydrogenBondAcceptorCount: 18
HydrogenBondDonorCount: 12
RotatableBondCount: 3
CatalogNumber:
AI67442
ChemicalName:
Amphotericin b
CasNumber:
1397-89-3
MolecularFormula:
C47H73NO17
MolecularWeight:
924.079
MdlNumber:
MFCD00877763
Smiles:
O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)N)O)C(=O)O
Complexity:
1670
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
19
DefinedBondStereocenterCount:
7
HeavyAtomCount:
65
HydrogenBondAcceptorCount:
18
HydrogenBondDonorCount:
12
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N=[CH2][CH2]=[CH2][CH2]=[CH]1N=[C](=O)[CH]2=[CH2][S]=[S][CH2]=[CH]3N=[C](=O)[CH2]=NC(=O)[CH2]=NC(=O)[CH](=[CH2]c4ccc(cc4)[O])N=[C](=O)[CH](=NC(=O)[CH](=[CH2]c4ccccc4)N=[C](=O)[CH](=NC(=O)[CH](=[CH2][CH2]=[C](=O)[NH])N=[C](=O)[CH](=[CH2][S]=[S][CH2]=[CH](N=[C](=O)[CH](=[CH2][C](=O)=O)N=[C](=O)[CH](=[CH2][CH2]=[C](=O)[O])N=[C](=O)[CH](=[CH3])N=[C](=O)[CH](=[CH2][O])N=[C](=O)[CH](=[CH2][CH2]=[CH2][CH2]=N)N=[C](=O)[CH](=[CH2]c4ccccc4)N=[C](=O)[CH](=[CH2][C](=O)=N)N=[C](=O)[CH](=[CH2][C](=O)=N)N=[C](=O)[CH](=[CH2][CH2]=[CH2]N=[C](=[N])[NH])N=[C](=O)[CH](=[CH2][CH2]=[CH2][CH2]=N)N=[C](=O)[CH](=[CH3])N=[C](=O)[CH](=[CH2][CH2]=[CH2]N=[C](=[N])[NH])N=[C]3=O)C(=O)N=[CH]([CH2]=[CH2][S]=[CH3])C(=O)N=[CH](C(=O)N=[CH](C(=O)N=[CH]([CH2]=[S][S]=[CH2][CH](=NC(=O)[CH](=[CH2]c3ccccc3)N=[C](=O)[CH](=[CH2][C](=O)=O)N=[C](=O)c3cccn3C(=O)[CH](=N)[CH2]=[CH2][CH2]=N[C](=N)=[N])C(=O)N=[CH](C(=O)N=[CH](C(=O)n3c(C(=O)n4c(C(=O)N=[CH](C(=O)N=[CH](C(=O)N=[CH2]C(=O)n5c(C(=O)N2)ccc5)[CH](=[CH3])[O])Cc2ccc(cc2)O)ccc4)ccc3)[CH2]=[CH2][C](=O)=O)[CH2]=[CH]([CH2])[CH2])C(=O)N=[CH2]C(=O)N=[CH2]C(=O)N=[CH]([C](=O)=O)[CH2])[CH](=[CH3])[O])[CH2]=[CH2][CH2]=N[C](=N)=[N])N=[C](=O)[CH](=[CH2][CH](=[CH3])[CH2])N=[C](=O)[CH2]=NC(=O)[CH](=[CH3])N=[C](=O)[CH](=[CH2][CH2]=[CH2][CH2]=N)N=[C](=O)[CH](=[CH3])N=[C](=O)[CH](=[CH2][C](=O)=N)N=[C](=O)[CH](=[CH2]c2ccc(cc2)[O])N=[C](=O)[CH](=[CH2]c2ccccc2)N=[C](=O)[CH](=[CH2]c2ccc(cc2)[O])N=[C](=O)[CH](=[CH2][CH2]=[CH2]N=[C](=[N])[NH])N=[C](=O)[CH](=NC(=O)[CH](=NC(=O)[CH](=[CH2][CH2]=[CH2]N=[C](=[N])[NH])N=[C](=O)[CH](=[CH3])N=[C]1=O)[CH](=[CH3])[CH2]=[CH3])[CH](=[CH3])[CH2]=[CH3])[CH](=[CH3])[O])[CH](=[CH3])[CH2]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N=[CH2][CH2]=[CH2][CH2]=[CH]1N=[C](=O)[CH]2=[CH2][S]=[S][CH2]=[CH]3N=[C](=O)[CH2]=NC(=O)[CH2]=NC(=O)[CH](=[CH2]c4ccc(cc4)[O])N=[C](=O)[CH](=NC(=O)[CH](=[CH2]c4ccccc4)N=[C](=O)[CH](=NC(=O)[CH](=[CH2][CH2]=[C](=O)[NH])N=[C](=O)[CH](=[CH2][S]=[S][CH2]=[CH](N=[C](=O)[CH](=[CH2][C](=O)=O)N=[C](=O)[CH](=[CH2][CH2]=[C](=O)[O])N=[C](=O)[CH](=[CH3])N=[C](=O)[CH](=[CH2][O])N=[C](=O)[CH](=[CH2][CH2]=[CH2][CH2]=N)N=[C](=O)[CH](=[CH2]c4ccccc4)N=[C](=O)[CH](=[CH2][C](=O)=N)N=[C](=O)[CH](=[CH2][C](=O)=N)N=[C](=O)[CH](=[CH2][CH2]=[CH2]N=[C](=[N])[NH])N=[C](=O)[CH](=[CH2][CH2]=[CH2][CH2]=N)N=[C](=O)[CH](=[CH3])N=[C](=O)[CH](=[CH2][CH2]=[CH2]N=[C](=[N])[NH])N=[C]3=O)C(=O)N=[CH]([CH2]=[CH2][S]=[CH3])C(=O)N=[CH](C(=O)N=[CH](C(=O)N=[CH]([CH2]=[S][S]=[CH2][CH](=NC(=O)[CH](=[CH2]c3ccccc3)N=[C](=O)[CH](=[CH2][C](=O)=O)N=[C](=O)c3cccn3C(=O)[CH](=N)[CH2]=[CH2][CH2]=N[C](=N)=[N])C(=O)N=[CH](C(=O)N=[CH](C(=O)n3c(C(=O)n4c(C(=O)N=[CH](C(=O)N=[CH](C(=O)N=[CH2]C(=O)n5c(C(=O)N2)ccc5)[CH](=[CH3])[O])Cc2ccc(cc2)O)ccc4)ccc3)[CH2]=[CH2][C](=O)=O)[CH2]=[CH]([CH2])[CH2])C(=O)N=[CH2]C(=O)N=[CH2]C(=O)N=[CH]([C](=O)=O)[CH2])[CH](=[CH3])[O])[CH2]=[CH2][CH2]=N[C](=N)=[N])N=[C](=O)[CH](=[CH2][CH](=[CH3])[CH2])N=[C](=O)[CH2]=NC(=O)[CH](=[CH3])N=[C](=O)[CH](=[CH2][CH2]=[CH2][CH2]=N)N=[C](=O)[CH](=[CH3])N=[C](=O)[CH](=[CH2][C](=O)=N)N=[C](=O)[CH](=[CH2]c2ccc(cc2)[O])N=[C](=O)[CH](=[CH2]c2ccccc2)N=[C](=O)[CH](=[CH2]c2ccc(cc2)[O])N=[C](=O)[CH](=[CH2][CH2]=[CH2]N=[C](=[N])[NH])N=[C](=O)[CH](=NC(=O)[CH](=NC(=O)[CH](=[CH2][CH2]=[CH2]N=[C](=[N])[NH])N=[C](=O)[CH](=[CH3])N=[C]1=O)[CH](=[CH3])[CH2]=[CH3])[CH](=[CH3])[CH2]=[CH3])[CH](=[CH3])[O])[CH](=[CH3])[CH2]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1C(=O)CCC(C1(O)C1(C)OC1CC=C(C)C)(C)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1C(=O)CCC(C1(O)C1(C)OC1CC=C(C)C)(C)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOCN(c1c(C)cccc1CC)C(=O)CCl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOCN(c1c(C)cccc1CC)C(=O)CCl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__