AG20963
510-30-5 | Echinocystic acid
Manufacturer: A2B Chem
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CatalogNumber
AG20963
ChemicalName
Echinocystic acid
CasNumber
510-30-5
MolecularFormula
C30H48O4
MolecularWeight
472.6997
MdlNumber
MFCD00017295
Smiles
O[C@@H]1C[C@]2(C)C(=CC[C@H]3[C@@]2(C)CCC2[C@]3(C)CC[C@@H](C2(C)C)O)[C@@H]2[C@@]1(CCC(C2)(C)C)C(=O)O
Complexity
919
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
9
HeavyAtomCount
34
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
6.9
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CatalogNumber: AG20963
ChemicalName: Echinocystic acid
CasNumber: 510-30-5
MolecularFormula: C30H48O4
MolecularWeight: 472.6997
MdlNumber: MFCD00017295
Smiles: O[C@@H]1C[C@]2(C)C(=CC[C@H]3[C@@]2(C)CCC2[C@]3(C)CC[C@@H](C2(C)C)O)[C@@H]2[C@@]1(CCC(C2)(C)C)C(=O)O
Complexity: 919
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 9
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 6.9
CatalogNumber:
AG20963
ChemicalName:
Echinocystic acid
CasNumber:
510-30-5
MolecularFormula:
C30H48O4
MolecularWeight:
472.6997
MdlNumber:
MFCD00017295
Smiles:
O[C@@H]1C[C@]2(C)C(=CC[C@H]3[C@@]2(C)CCC2[C@]3(C)CC[C@@H](C2(C)C)O)[C@@H]2[C@@]1(CCC(C2)(C)C)C(=O)O
Complexity:
919
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
9
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
6.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCC(=O)N[C@@H]([C@@H](c1ccc2c(c1)OCCO2)O)CN1CCCC1
Complexity: 484
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCC(=O)N[C@@H]([C@@H](c1ccc2c(c1)OCCO2)O)CN1CCCC1
Complexity:
484
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(CN(Cc1ccccc1)Cc1ccccc1)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(CN(Cc1ccccc1)Cc1ccccc1)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCN2[C@@H](C1)c1ccccc1CC2.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CCN2[C@@H](C1)c1ccccc1CC2.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__