Glycoside
GD133533
Name:
(25R)-26-[(Beta-D-Glucopyranosyl)Oxy]-2Alpha-Hydroxy-22Alpha-Methoxy-3Bet+Formula:
C51H82O25Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4=CC(=O)C3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4=CC(=O)C3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.94 |
| AlogP: | -4.59 | Num_rotatable_bonds: | 16 |
| MolWt: | 1095.19 | Num_heavy_atoms: | 76 |
| TPSA: | 392.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD46016
Formula: C28H44O6
Smiles:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4=CC(=O)C3(C)C2C1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.65 | Num_heavy_atoms: | 34 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
