AI67586
65914-17-2 | (Z/E-)-Polydatin
Manufacturer: A2B Chem
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CatalogNumber
AI67586
ChemicalName
(Z/E-)-Polydatin
CasNumber
65914-17-2
MolecularFormula
C20H22O8
MolecularWeight
390.38388
MdlNumber
MFCD00210592
Smiles
OC[C@H]1O[C@@H](Oc2cc(C=Cc3ccc(cc3)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
506
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
DefinedBondStereocenterCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
6
RotatableBondCount
5
Xlogp3
1.7
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CatalogNumber: AI67586
ChemicalName: (Z/E-)-Polydatin
CasNumber: 65914-17-2
MolecularFormula: C20H22O8
MolecularWeight: 390.38388
MdlNumber: MFCD00210592
Smiles: OC[C@H]1O[C@@H](Oc2cc(C=Cc3ccc(cc3)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 506
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
DefinedBondStereocenterCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 6
RotatableBondCount: 5
Xlogp3: 1.7
CatalogNumber:
AI67586
ChemicalName:
(Z/E-)-Polydatin
CasNumber:
65914-17-2
MolecularFormula:
C20H22O8
MolecularWeight:
390.38388
MdlNumber:
MFCD00210592
Smiles:
OC[C@H]1O[C@@H](Oc2cc(C=Cc3ccc(cc3)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
506
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
DefinedBondStereocenterCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
6
RotatableBondCount:
5
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)C)C)C)/C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)C)C)C)/C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__