AC32806
84687-43-4 | Astragaloside iv
Manufacturer: A2B Chem
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CatalogNumber
AC32806
ChemicalName
Astragaloside iv
CasNumber
84687-43-4
MolecularFormula
C41H68O14
MolecularWeight
784.9702
MdlNumber
MFCD16036240
Smiles
OC[C@H]1O[C@@H](O[C@@H]2CC3C4([C@@]5(C2C(C)(C)C(CC5)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C4)CC[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
1460
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
21
HeavyAtomCount
55
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
9
RotatableBondCount
7
Xlogp3
1.3
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CatalogNumber: AC32806
ChemicalName: Astragaloside iv
CasNumber: 84687-43-4
MolecularFormula: C41H68O14
MolecularWeight: 784.9702
MdlNumber: MFCD16036240
Smiles: OC[C@H]1O[C@@H](O[C@@H]2CC3C4([C@@]5(C2C(C)(C)C(CC5)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C4)CC[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 1460
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 21
HeavyAtomCount: 55
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 9
RotatableBondCount: 7
Xlogp3: 1.3
CatalogNumber:
AC32806
ChemicalName:
Astragaloside iv
CasNumber:
84687-43-4
MolecularFormula:
C41H68O14
MolecularWeight:
784.9702
MdlNumber:
MFCD16036240
Smiles:
OC[C@H]1O[C@@H](O[C@@H]2CC3C4([C@@]5(C2C(C)(C)C(CC5)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C4)CC[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
1460
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
21
HeavyAtomCount:
55
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
9
RotatableBondCount:
7
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C1CN=C(N1)[C@H]1COc2c(O1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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Smiles:
C1CN=C(N1)[C@H]1COc2c(O1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: [O-][N+](=O)c1ccc(c(c1)NC(=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(c(c1)NC(=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cccc2c1c(=O)c1c(s2)cccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cccc2c1c(=O)c1c(s2)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__