AD74407
121521-90-2 | Salvianolic acid B
Manufacturer: A2B Chem
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CatalogNumber
AD74407
ChemicalName
Salvianolic acid B
CasNumber
121521-90-2
MolecularFormula
C36H30O16
MolecularWeight
718.6138
MdlNumber
MFCD07779133
Smiles
O=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c2c1[C@@H](C(=O)O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)[C@@H](O2)c1ccc(c(c1)O)O)O
Complexity
1290
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
DefinedBondStereocenterCount
1
HeavyAtomCount
52
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
9
RotatableBondCount
14
Xlogp3
4
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CatalogNumber: AD74407
ChemicalName: Salvianolic acid B
CasNumber: 121521-90-2
MolecularFormula: C36H30O16
MolecularWeight: 718.6138
MdlNumber: MFCD07779133
Smiles: O=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c2c1[C@@H](C(=O)O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)[C@@H](O2)c1ccc(c(c1)O)O)O
Complexity: 1290
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
DefinedBondStereocenterCount: 1
HeavyAtomCount: 52
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 9
RotatableBondCount: 14
Xlogp3: 4
CatalogNumber:
AD74407
ChemicalName:
Salvianolic acid B
CasNumber:
121521-90-2
MolecularFormula:
C36H30O16
MolecularWeight:
718.6138
MdlNumber:
MFCD07779133
Smiles:
O=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c2c1[C@@H](C(=O)O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)[C@@H](O2)c1ccc(c(c1)O)O)O
Complexity:
1290
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
DefinedBondStereocenterCount:
1
HeavyAtomCount:
52
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
9
RotatableBondCount:
14
Xlogp3:
4
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Smiles: OC(=O)c1cn[nH]c1Cl
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Smiles:
OC(=O)c1cn[nH]c1Cl
Complexity:
__
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__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@H](CC)C)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@H](CC)C)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)N
Complexity:
__
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__
DefinedAtomStereocenterCount:
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DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Fc1ccc(cc1)c1ccn[nH]1
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Fc1ccc(cc1)c1ccn[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__