AH49099
78574-94-4 | Cycloastragenol
Manufacturer: A2B Chem
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CatalogNumber
AH49099
ChemicalName
Cycloastragenol
CasNumber
78574-94-4
MolecularFormula
C30H50O5
MolecularWeight
490.715
MdlNumber
MFCD24849201
Smiles
O[C@H]1C[C@@]2([C@]([C@H]1[C@@]1(C)CC[C@H](O1)C(O)(C)C)(C)CC[C@@]13[C@H]2C[C@H](O)[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C
Complexity
916
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
12
HeavyAtomCount
35
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
4
RotatableBondCount
2
Xlogp3
4.4
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CatalogNumber: AH49099
ChemicalName: Cycloastragenol
CasNumber: 78574-94-4
MolecularFormula: C30H50O5
MolecularWeight: 490.715
MdlNumber: MFCD24849201
Smiles: O[C@H]1C[C@@]2([C@]([C@H]1[C@@]1(C)CC[C@H](O1)C(O)(C)C)(C)CC[C@@]13[C@H]2C[C@H](O)[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C
Complexity: 916
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 12
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AH49099
ChemicalName:
Cycloastragenol
CasNumber:
78574-94-4
MolecularFormula:
C30H50O5
MolecularWeight:
490.715
MdlNumber:
MFCD24849201
Smiles:
O[C@H]1C[C@@]2([C@]([C@H]1[C@@]1(C)CC[C@H](O1)C(O)(C)C)(C)CC[C@@]13[C@H]2C[C@H](O)[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C
Complexity:
916
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
12
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
2
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(C1=CC=CC=C1)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(C1=CC=CC=C1)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C([C@@H]1[C@H](C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)c(c(c1F)F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C([C@@H]1[C@H](C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)c(c(c1F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__