AB50253
15291-75-5 | Ginkgolide a
Manufacturer: A2B Chem
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CatalogNumber
AB50253
ChemicalName
Ginkgolide a
CasNumber
15291-75-5
MolecularFormula
C20H24O9
MolecularWeight
408.3991599999999
MdlNumber
MFCD07437829
Smiles
O=C1O[C@@H]2[C@@]([C@@H]1C)(O)C13[C@]4(C2)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C
NscNumber
603665
Complexity
893
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
10
Xlogp3
0.6
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CatalogNumber: AB50253
ChemicalName: Ginkgolide a
CasNumber: 15291-75-5
MolecularFormula: C20H24O9
MolecularWeight: 408.3991599999999
MdlNumber: MFCD07437829
Smiles: O=C1O[C@@H]2[C@@]([C@@H]1C)(O)C13[C@]4(C2)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C
NscNumber: 603665
Complexity: 893
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 10
Xlogp3: 0.6
CatalogNumber:
AB50253
ChemicalName:
Ginkgolide a
CasNumber:
15291-75-5
MolecularFormula:
C20H24O9
MolecularWeight:
408.3991599999999
MdlNumber:
MFCD07437829
Smiles:
O=C1O[C@@H]2[C@@]([C@@H]1C)(O)C13[C@]4(C2)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C
NscNumber:
603665
Complexity:
893
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
10
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCS(=O)(=O)[O-].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCS(=O)(=O)[O-].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NscNumber: __
Complexity: 237
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NscNumber:
__
Complexity:
237
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: AB50256
ChemicalName: tert-butyl 4-(2-bromoacetyl)piperidine-1-carboxylate
CasNumber: 301221-79-4
MolecularFormula: C12H20BrNO3
MolecularWeight: 306.1961
MdlNumber: MFCD11975555
Smiles: BrCC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
NscNumber: __
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AB50256
ChemicalName:
tert-butyl 4-(2-bromoacetyl)piperidine-1-carboxylate
CasNumber:
301221-79-4
MolecularFormula:
C12H20BrNO3
MolecularWeight:
306.1961
MdlNumber:
MFCD11975555
Smiles:
BrCC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
NscNumber:
__
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1