AH13512
6807-83-6 | Trifolirhizin
Manufacturer: A2B Chem
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CatalogNumber
AH13512
ChemicalName
Trifolirhizin
CasNumber
6807-83-6
MolecularFormula
C22H22O10
MolecularWeight
446.4041
MdlNumber
MFCD00238700
Smiles
OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@@H]2[C@H]3Oc3c2cc2c(c3)OCO2)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
679
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
7
HeavyAtomCount
32
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
4
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AH13512
ChemicalName: Trifolirhizin
CasNumber: 6807-83-6
MolecularFormula: C22H22O10
MolecularWeight: 446.4041
MdlNumber: MFCD00238700
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@@H]2[C@H]3Oc3c2cc2c(c3)OCO2)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 679
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 7
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 4
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AH13512
ChemicalName:
Trifolirhizin
CasNumber:
6807-83-6
MolecularFormula:
C22H22O10
MolecularWeight:
446.4041
MdlNumber:
MFCD00238700
Smiles:
OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@@H]2[C@H]3Oc3c2cc2c(c3)OCO2)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
679
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
7
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
4
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1OC(Oc2ccc(cc2O)c2cc(=O)c3c(o2)cc(cc3O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC[C@H]1OC(Oc2ccc(cc2O)c2cc(=O)c3c(o2)cc(cc3O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(/C=C/C(=O)O)c(cc1OC)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(/C=C/C(=O)O)c(cc1OC)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCOc1ccc(cc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCOc1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__