AF32689
20311-51-7 | Solamargine
Manufacturer: A2B Chem
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CatalogNumber
AF32689
ChemicalName
Solamargine
CasNumber
20311-51-7
MolecularFormula
C45H73NO15
MolecularWeight
868.0588200000005
MdlNumber
MFCD30207844
Smiles
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity
1610
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
26
HeavyAtomCount
61
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
9
RotatableBondCount
7
Xlogp3
1.1
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CatalogNumber: AF32689
ChemicalName: Solamargine
CasNumber: 20311-51-7
MolecularFormula: C45H73NO15
MolecularWeight: 868.0588200000005
MdlNumber: MFCD30207844
Smiles: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity: 1610
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 26
HeavyAtomCount: 61
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 9
RotatableBondCount: 7
Xlogp3: 1.1
CatalogNumber:
AF32689
ChemicalName:
Solamargine
CasNumber:
20311-51-7
MolecularFormula:
C45H73NO15
MolecularWeight:
868.0588200000005
MdlNumber:
MFCD30207844
Smiles:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
1610
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
26
HeavyAtomCount:
61
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
9
RotatableBondCount:
7
Xlogp3:
1.1
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Smiles: CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
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Smiles:
CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)C(F)(F)F.CN[C@@H](C(c1ccccc1)(C)C)C(=O)N[C@@H](C(C)(C)C)C(=O)N([C@@H](C(C)C)/C=C(/C(=O)O)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(F)(F)F.CN[C@@H](C(c1ccccc1)(C)C)C(=O)N[C@@H](C(C)(C)C)C(=O)N([C@@H](C(C)C)/C=C(/C(=O)O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__