AF69866
39011-92-2 | Nuezhenide
Manufacturer: A2B Chem
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CatalogNumber
AF69866
ChemicalName
Nuezhenide
CasNumber
39011-92-2
MolecularFormula
C31H42O17
MolecularWeight
686.655
MdlNumber
MFCD20274720
Smiles
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](C2=CC)CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(cc3)O)[C@@H]([C@H]([C@@H]2O)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
1120
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
12
DefinedBondStereocenterCount
1
HeavyAtomCount
48
HydrogenBondAcceptorCount
17
HydrogenBondDonorCount
8
RotatableBondCount
14
Xlogp3
-2.2
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CatalogNumber: AF69866
ChemicalName: Nuezhenide
CasNumber: 39011-92-2
MolecularFormula: C31H42O17
MolecularWeight: 686.655
MdlNumber: MFCD20274720
Smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](C2=CC)CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(cc3)O)[C@@H]([C@H]([C@@H]2O)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 1120
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 12
DefinedBondStereocenterCount: 1
HeavyAtomCount: 48
HydrogenBondAcceptorCount: 17
HydrogenBondDonorCount: 8
RotatableBondCount: 14
Xlogp3: -2.2
CatalogNumber:
AF69866
ChemicalName:
Nuezhenide
CasNumber:
39011-92-2
MolecularFormula:
C31H42O17
MolecularWeight:
686.655
MdlNumber:
MFCD20274720
Smiles:
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](C2=CC)CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(cc3)O)[C@@H]([C@H]([C@@H]2O)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
1120
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
12
DefinedBondStereocenterCount:
1
HeavyAtomCount:
48
HydrogenBondAcceptorCount:
17
HydrogenBondDonorCount:
8
RotatableBondCount:
14
Xlogp3:
-2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)C(C(N)C)O)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)C(C(N)C)O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COCC(COC(=O)CCCCCCCCCCCCCCCCC)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COCC(COC(=O)CCCCCCCCCCCCCCCCC)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__