Glycoside
GD150177
Name:
2-({6-[(6-{[3a-hydroxy-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}-4-hydroxy-2-methyloxan-3-yl)oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-6-methyloxane-3,5-diolFormula:
C41H68O13Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5C4CCC4(C)C(C(C)O)CCC54O)C3)OC2C)OC(C)C1OC1OC(C)C(O)C(OC)C1OAglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 174.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD46291
Formula: C21H34O3
Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
