Glycoside
GD155084
Name:
2-{[1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triolFormula:
C26H42O6Smiles:
CC(O)C1CCC2C3CC=C4CC(OC5OCC(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.62 | Num_heavy_atoms: | 32 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD45290
Formula: C21H34O2
Smiles:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.5 | Num_heavy_atoms: | 23 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
