AI56611
80418-24-2 | Notoginsenoside R1
Manufacturer: A2B Chem
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CatalogNumber
AI56611
ChemicalName
Notoginsenoside R1
CasNumber
80418-24-2
MolecularFormula
C47H80O18
MolecularWeight
933.1273
MdlNumber
MFCD00210535
Smiles
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Complexity
1670
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
25
HeavyAtomCount
65
HydrogenBondAcceptorCount
18
HydrogenBondDonorCount
12
RotatableBondCount
12
Xlogp3
1.1
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CatalogNumber: AI56611
ChemicalName: Notoginsenoside R1
CasNumber: 80418-24-2
MolecularFormula: C47H80O18
MolecularWeight: 933.1273
MdlNumber: MFCD00210535
Smiles: OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Complexity: 1670
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 25
HeavyAtomCount: 65
HydrogenBondAcceptorCount: 18
HydrogenBondDonorCount: 12
RotatableBondCount: 12
Xlogp3: 1.1
CatalogNumber:
AI56611
ChemicalName:
Notoginsenoside R1
CasNumber:
80418-24-2
MolecularFormula:
C47H80O18
MolecularWeight:
933.1273
MdlNumber:
MFCD00210535
Smiles:
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Complexity:
1670
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
25
HeavyAtomCount:
65
HydrogenBondAcceptorCount:
18
HydrogenBondDonorCount:
12
RotatableBondCount:
12
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CC(O)CC(C1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC1CC(O)CC(C1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)COc1ccc(cc1Cl)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)COc1ccc(cc1Cl)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CNCc1ccccc1)(O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CNCc1ccccc1)(O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__