AE10236
110642-44-9 | Epimedin C
Manufacturer: A2B Chem
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CatalogNumber
AE10236
ChemicalName
Epimedin C
CasNumber
110642-44-9
MolecularFormula
C39H50O19
MolecularWeight
822.8029
MdlNumber
MFCD04039820
Smiles
COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O
Complexity
1450
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
15
HeavyAtomCount
58
HydrogenBondAcceptorCount
19
HydrogenBondDonorCount
10
RotatableBondCount
11
Xlogp3
0.6
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CatalogNumber: AE10236
ChemicalName: Epimedin C
CasNumber: 110642-44-9
MolecularFormula: C39H50O19
MolecularWeight: 822.8029
MdlNumber: MFCD04039820
Smiles: COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O
Complexity: 1450
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 15
HeavyAtomCount: 58
HydrogenBondAcceptorCount: 19
HydrogenBondDonorCount: 10
RotatableBondCount: 11
Xlogp3: 0.6
CatalogNumber:
AE10236
ChemicalName:
Epimedin C
CasNumber:
110642-44-9
MolecularFormula:
C39H50O19
MolecularWeight:
822.8029
MdlNumber:
MFCD04039820
Smiles:
COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O
Complexity:
1450
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
15
HeavyAtomCount:
58
HydrogenBondAcceptorCount:
19
HydrogenBondDonorCount:
10
RotatableBondCount:
11
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1OC(OCC=C(C(CC=C(C)C)O)C)C(C(C1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1OC(OCC=C(C(CC=C(C)C)O)C)C(C(C1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]C(ON)([2H])[2H].Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]C(ON)([2H])[2H].Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C(=[N+](C)C)SCc1ccc2c(c1)C1=NC3[N-]C(c4c3ccc(c4)CSC(=[N+](C)C)N(C)C)N=C3N=C(N=c4[n-]c(=NC2=N1)c1cc(CSC(=[N+](C)C)N(C)C)ccc41)c1c3cc(cc1)CSC(=[N+](C)C)N(C)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=[N+](C)C)SCc1ccc2c(c1)C1=NC3[N-]C(c4c3ccc(c4)CSC(=[N+](C)C)N(C)C)N=C3N=C(N=c4[n-]c(=NC2=N1)c1cc(CSC(=[N+](C)C)N(C)C)ccc41)c1c3cc(cc1)CSC(=[N+](C)C)N(C)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__