Glycoside
GD114725
Name:
2-({[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}methyl)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O6Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OCC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 590.89 | Num_heavy_atoms: | 42 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD45236
Formula: C30H52O
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.93 |
| AlogP: | 8.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.75 | Num_heavy_atoms: | 31 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
