AD71736
14216-03-6 | Hederacoside C
Manufacturer: A2B Chem
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CatalogNumber
AD71736
ChemicalName
Hederacoside C
CasNumber
14216-03-6
MolecularFormula
C12H18O6
MolecularWeight
258.2677
MdlNumber
MFCD00198062
Smiles
COC1O[CH][C@H]([C@@H]([C@H]1O)O)O[C@H]1[CH][CH][CH][C@@H](O1)C
Complexity
2370
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
33
HeavyAtomCount
85
HydrogenBondAcceptorCount
26
HydrogenBondDonorCount
15
RotatableBondCount
14
Xlogp3
-2
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CatalogNumber: AD71736
ChemicalName: Hederacoside C
CasNumber: 14216-03-6
MolecularFormula: C12H18O6
MolecularWeight: 258.2677
MdlNumber: MFCD00198062
Smiles: COC1O[CH][C@H]([C@@H]([C@H]1O)O)O[C@H]1[CH][CH][CH][C@@H](O1)C
Complexity: 2370
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 33
HeavyAtomCount: 85
HydrogenBondAcceptorCount: 26
HydrogenBondDonorCount: 15
RotatableBondCount: 14
Xlogp3: -2
CatalogNumber:
AD71736
ChemicalName:
Hederacoside C
CasNumber:
14216-03-6
MolecularFormula:
C12H18O6
MolecularWeight:
258.2677
MdlNumber:
MFCD00198062
Smiles:
COC1O[CH][C@H]([C@@H]([C@H]1O)O)O[C@H]1[CH][CH][CH][C@@H](O1)C
Complexity:
2370
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
33
HeavyAtomCount:
85
HydrogenBondAcceptorCount:
26
HydrogenBondDonorCount:
15
RotatableBondCount:
14
Xlogp3:
-2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(=O)C=[N+]=[N-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(=O)C=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD71741
ChemicalName: 3-Bromo-5-(methylthio)pyridine
CasNumber: 142137-18-6
MolecularFormula: C6H6BrNS
MolecularWeight: 204.0875
MdlNumber: MFCD08689537
Smiles: CSc1cc(Br)cnc1
Complexity: 89.1
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AD71741
ChemicalName:
3-Bromo-5-(methylthio)pyridine
CasNumber:
142137-18-6
MolecularFormula:
C6H6BrNS
MolecularWeight:
204.0875
MdlNumber:
MFCD08689537
Smiles:
CSc1cc(Br)cnc1
Complexity:
89.1
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C)cc(cc1C)/C=C/c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C)cc(cc1C)/C=C/c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__