AF69221
39524-08-8 | Asperosaponin VI
Manufacturer: A2B Chem
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CatalogNumber
AF69221
ChemicalName
Asperosaponin VI
CasNumber
39524-08-8
MolecularFormula
C47H76O18
MolecularWeight
929.0955
MdlNumber
MFCD25371916
Smiles
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)CO)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
1770
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
23
HeavyAtomCount
65
HydrogenBondAcceptorCount
18
HydrogenBondDonorCount
11
RotatableBondCount
10
Xlogp3
0.8
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CatalogNumber: AF69221
ChemicalName: Asperosaponin VI
CasNumber: 39524-08-8
MolecularFormula: C47H76O18
MolecularWeight: 929.0955
MdlNumber: MFCD25371916
Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)CO)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 1770
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 23
HeavyAtomCount: 65
HydrogenBondAcceptorCount: 18
HydrogenBondDonorCount: 11
RotatableBondCount: 10
Xlogp3: 0.8
CatalogNumber:
AF69221
ChemicalName:
Asperosaponin VI
CasNumber:
39524-08-8
MolecularFormula:
C47H76O18
MolecularWeight:
929.0955
MdlNumber:
MFCD25371916
Smiles:
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)CO)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
1770
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
23
HeavyAtomCount:
65
HydrogenBondAcceptorCount:
18
HydrogenBondDonorCount:
11
RotatableBondCount:
10
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC[C@H]([C@@H](COC)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC[C@H]([C@@H](COC)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)Nc1c(Cl)cccc1Cl)Cl
Complexity: 202
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)Nc1c(Cl)cccc1Cl)Cl
Complexity:
202
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AF69228
ChemicalName: 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone
CasNumber: 385380-85-8
MolecularFormula: C12H14FNO
MolecularWeight: 207.2441
MdlNumber: MFCD02633467
Smiles: Fc1cc(ccc1N1CCCC1)C(=O)C
Complexity: 238
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AF69228
ChemicalName:
1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone
CasNumber:
385380-85-8
MolecularFormula:
C12H14FNO
MolecularWeight:
207.2441
MdlNumber:
MFCD02633467
Smiles:
Fc1cc(ccc1N1CCCC1)C(=O)C
Complexity:
238
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.3