Glycoside
GD116031
Name:
2-[(1-hydroxy-1-{1-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]ethyl}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxy]-4-methoxy-6-methyloxane-3,5-diolFormula:
C35H58O10Smiles:
COC1CC(OC(C)C2(O)CCC3C4C=CC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC32C)OC(C)C1OAglycone:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.84 | Num_heavy_atoms: | 45 |
| TPSA: | 136.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD46010
Formula: C21H34O3
Smiles:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
