AB04806
20362-31-6 | Arctiin
Manufacturer: A2B Chem
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CatalogNumber
AB04806
ChemicalName
Arctiin
CasNumber
20362-31-6
MolecularFormula
C27H34O11
MolecularWeight
534.5523
MdlNumber
MFCD00870630
Smiles
OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
753
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
7
HeavyAtomCount
38
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
4
RotatableBondCount
10
Xlogp3
1.8
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CatalogNumber: AB04806
ChemicalName: Arctiin
CasNumber: 20362-31-6
MolecularFormula: C27H34O11
MolecularWeight: 534.5523
MdlNumber: MFCD00870630
Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 753
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 7
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 4
RotatableBondCount: 10
Xlogp3: 1.8
CatalogNumber:
AB04806
ChemicalName:
Arctiin
CasNumber:
20362-31-6
MolecularFormula:
C27H34O11
MolecularWeight:
534.5523
MdlNumber:
MFCD00870630
Smiles:
OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
753
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
7
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
4
RotatableBondCount:
10
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1NC(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1NC(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1NC(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1NC(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OOC1CCCCC1)OOC1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OOC1CCCCC1)OOC1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__