AA62721
1405-86-3 | Glycyrrhizic acid
Manufacturer: A2B Chem
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CatalogNumber
AA62721
ChemicalName
Glycyrrhizic acid
CasNumber
1405-86-3
MolecularFormula
C42H62O16
MolecularWeight
822.9321
MdlNumber
MFCD00065194
Smiles
O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C
Complexity
1730
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
19
HeavyAtomCount
58
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
8
RotatableBondCount
7
Xlogp3
3.7
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CatalogNumber: AA62721
ChemicalName: Glycyrrhizic acid
CasNumber: 1405-86-3
MolecularFormula: C42H62O16
MolecularWeight: 822.9321
MdlNumber: MFCD00065194
Smiles: O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C
Complexity: 1730
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 19
HeavyAtomCount: 58
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 8
RotatableBondCount: 7
Xlogp3: 3.7
CatalogNumber:
AA62721
ChemicalName:
Glycyrrhizic acid
CasNumber:
1405-86-3
MolecularFormula:
C42H62O16
MolecularWeight:
822.9321
MdlNumber:
MFCD00065194
Smiles:
O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C
Complexity:
1730
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
19
HeavyAtomCount:
58
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
8
RotatableBondCount:
7
Xlogp3:
3.7
CatalogNumber: __
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OP(=O)(O)O.O=CC[C@H]1C[C@@H](C)C(=O)/C=C/C(=C/[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)O)C)O)CC)CO[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1OC)OC)O)/C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OP(=O)(O)O.O=CC[C@H]1C[C@@H](C)C(=O)/C=C/C(=C/[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)O)C)O)CC)CO[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1OC)OC)O)/C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA62724
ChemicalName: Capreomycin sulfate
CasNumber: 1405-37-4
MolecularFormula: C24H44N14O12S
MolecularWeight: 752.7577600000006
MdlNumber: MFCD00079032
Smiles: OS(=O)(=O)O.NCCC[C@@H](C(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)/C(=C/NC(=O)N)/NC1=O)C1CCN=C(N1)N)N
Complexity: 1310
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 51
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 16
RotatableBondCount: 9
Xlogp3: __
CatalogNumber:
AA62724
ChemicalName:
Capreomycin sulfate
CasNumber:
1405-37-4
MolecularFormula:
C24H44N14O12S
MolecularWeight:
752.7577600000006
MdlNumber:
MFCD00079032
Smiles:
OS(=O)(=O)O.NCCC[C@@H](C(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)/C(=C/NC(=O)N)/NC1=O)C1CCN=C(N1)N)N
Complexity:
1310
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
51
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
16
RotatableBondCount:
9
Xlogp3:
__