Glycoside
GD115030
Name:
2-{[5-chloro-1-(5-ethyl-6-methylheptan-2-yl)-5a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H61O7ClSmiles:
CCC(CCC(C)C1CCC2C3CC(Cl)C4(O)CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC(Cl)C4(O)CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 629.32 | Num_heavy_atoms: | 43 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD45428
Formula: C30H51O2Cl
Smiles:
CCC(CCC(C)C1CCC2C3CC(Cl)C4(O)CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 7.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.18 | Num_heavy_atoms: | 32 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
