AA43425
128-57-4 | Sennoside b
Manufacturer: A2B Chem
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CatalogNumber
AA43425
ChemicalName
Sennoside b
CasNumber
128-57-4
MolecularFormula
C42H38O20
MolecularWeight
862.7391200000005
MdlNumber
MFCD00151528
Smiles
OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
1550
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
12
HeavyAtomCount
62
HydrogenBondAcceptorCount
20
HydrogenBondDonorCount
12
RotatableBondCount
9
Xlogp3
1.2
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CatalogNumber: AA43425
ChemicalName: Sennoside b
CasNumber: 128-57-4
MolecularFormula: C42H38O20
MolecularWeight: 862.7391200000005
MdlNumber: MFCD00151528
Smiles: OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 1550
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 12
HeavyAtomCount: 62
HydrogenBondAcceptorCount: 20
HydrogenBondDonorCount: 12
RotatableBondCount: 9
Xlogp3: 1.2
CatalogNumber:
AA43425
ChemicalName:
Sennoside b
CasNumber:
128-57-4
MolecularFormula:
C42H38O20
MolecularWeight:
862.7391200000005
MdlNumber:
MFCD00151528
Smiles:
OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
1550
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
12
HeavyAtomCount:
62
HydrogenBondAcceptorCount:
20
HydrogenBondDonorCount:
12
RotatableBondCount:
9
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1C(=O)C=CC1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN1C(=O)C=CC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCCC1=CCC2CC1C2(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCCC1=CCC2CC1C2(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__