AB12366
19083-00-2 | Gracillin
Manufacturer: A2B Chem
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CatalogNumber
AB12366
ChemicalName
Gracillin
CasNumber
19083-00-2
MolecularFormula
C45H72O17
MolecularWeight
885.043
MdlNumber
MFCD28978176
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](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity
1620
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
26
HeavyAtomCount
62
HydrogenBondAcceptorCount
17
HydrogenBondDonorCount
9
RotatableBondCount
8
Xlogp3
1.4
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CatalogNumber: AB12366
ChemicalName: Gracillin
CasNumber: 19083-00-2
MolecularFormula: C45H72O17
MolecularWeight: 885.043
MdlNumber: MFCD28978176
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](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity: 1620
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 26
HeavyAtomCount: 62
HydrogenBondAcceptorCount: 17
HydrogenBondDonorCount: 9
RotatableBondCount: 8
Xlogp3: 1.4
CatalogNumber:
AB12366
ChemicalName:
Gracillin
CasNumber:
19083-00-2
MolecularFormula:
C45H72O17
MolecularWeight:
885.043
MdlNumber:
MFCD28978176
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](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
1620
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
26
HeavyAtomCount:
62
HydrogenBondAcceptorCount:
17
HydrogenBondDonorCount:
9
RotatableBondCount:
8
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Oc1c(C)cc(cc1C)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
CC(=O)Oc1c(C)cc(cc1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
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Smiles: C1CCN(CC1)C(=[N+]1CCCCC1)On1nnc2c1cccc2.F[P-](F)(F)(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCN(CC1)C(=[N+]1CCCCC1)On1nnc2c1cccc2.F[P-](F)(F)(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCSS(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCSS(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__