AH18719
68401-05-8 | Kuwanon E
Manufacturer: A2B Chem
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CatalogNumber
AH18719
ChemicalName
Kuwanon E
CasNumber
68401-05-8
MolecularFormula
C25H28O6
MolecularWeight
424.4862
MdlNumber
MFCD21333736
Smiles
CC(=CCc1cc(c(cc1O)O)C1CC(=O)c2c(O1)cc(cc2O)O)CCC=C(C)C
Complexity
682
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
4
RotatableBondCount
6
Xlogp3
5.8
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CatalogNumber: AH18719
ChemicalName: Kuwanon E
CasNumber: 68401-05-8
MolecularFormula: C25H28O6
MolecularWeight: 424.4862
MdlNumber: MFCD21333736
Smiles: CC(=CCc1cc(c(cc1O)O)C1CC(=O)c2c(O1)cc(cc2O)O)CCC=C(C)C
Complexity: 682
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 4
RotatableBondCount: 6
Xlogp3: 5.8
CatalogNumber:
AH18719
ChemicalName:
Kuwanon E
CasNumber:
68401-05-8
MolecularFormula:
C25H28O6
MolecularWeight:
424.4862
MdlNumber:
MFCD21333736
Smiles:
CC(=CCc1cc(c(cc1O)O)C1CC(=O)c2c(O1)cc(cc2O)O)CCC=C(C)C
Complexity:
682
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
4
RotatableBondCount:
6
Xlogp3:
5.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCC1=C[C@](OC)(C(=CC1=O)OC)[C@@H](Cc1ccc(c(c1)OC)OC)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCC1=C[C@](OC)(C(=CC1=O)OC)[C@@H](Cc1ccc(c(c1)OC)OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)[C@H]1O[C@H]1CN2CC4)cccc3
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)[C@H]1O[C@H]1CN2CC4)cccc3
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C[C@@H](C(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C[C@@H](C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__