AD22245
14197-60-5 | Ginsenoside rg3
Manufacturer: A2B Chem
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CatalogNumber
AD22245
ChemicalName
Ginsenoside rg3
CasNumber
14197-60-5
MolecularFormula
C42H72O13
MolecularWeight
785.0133
MdlNumber
MFCD06410950
Smiles
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity
1370
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
20
HeavyAtomCount
55
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
9
RotatableBondCount
10
Xlogp3
4
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CatalogNumber: AD22245
ChemicalName: Ginsenoside rg3
CasNumber: 14197-60-5
MolecularFormula: C42H72O13
MolecularWeight: 785.0133
MdlNumber: MFCD06410950
Smiles: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity: 1370
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 20
HeavyAtomCount: 55
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 9
RotatableBondCount: 10
Xlogp3: 4
CatalogNumber:
AD22245
ChemicalName:
Ginsenoside rg3
CasNumber:
14197-60-5
MolecularFormula:
C42H72O13
MolecularWeight:
785.0133
MdlNumber:
MFCD06410950
Smiles:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
1370
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
20
HeavyAtomCount:
55
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
9
RotatableBondCount:
10
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1OC)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1OC)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)N[C@H](c1cccc(c1Cl)Cl)CC(=O)O
Complexity: 384
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@H](c1cccc(c1Cl)Cl)CC(=O)O
Complexity:
384
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@@H](c1cccc(c1)O)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@@H](c1cccc(c1)O)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__