Glycoside
GD032665
Name:
(25R)-26-[(Beta-D-Glucopyranosyl)Oxy]-22Alpha-Methoxy-5Beta-Furostan-3Bet+Formula:
C46H78O19Smiles:
CO[C@@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@H]1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 14 |
| MolWt: | 935.11 | Num_heavy_atoms: | 65 |
| TPSA: | 296.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD13526
Formula: C28H48O4
Smiles:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.69 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
