Glycoside
GD123686
Name:
6-{[3a,11-dihydroxy-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}-2-methyloxane-3,4-diolFormula:
C27H44O7Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(OC5CC(O)C(O)C(C)O5)CCC4(C)C3CC(O)C12CAglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 480.64 | Num_heavy_atoms: | 34 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD49938
Formula: C21H34O4
Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 350.5 | Num_heavy_atoms: | 25 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
