Glycoside
GD148557
Name:
1-(3,3-dimethyloxiran-2-yl)-3-{13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadec-10-en-15-yl}butyl acetateFormula:
C37H56O10Smiles:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12C)C1OC1(C)CAglycone:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.84 | Num_heavy_atoms: | 47 |
| TPSA: | 155.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD59332
Formula: C32H48O6
Smiles:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)C| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.73 | Num_heavy_atoms: | 38 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
