Glycoside
GD016288
Name:
REHMAGLUTOSIDE BFormula:
C29H40O17Smiles:
COc1cc(C(=O)O[C@@H]2C[C@@](C)(O)[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]23)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 660.62 | Num_heavy_atoms: | 46 |
| TPSA: | 263.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD11752
Formula: C17H20O7
Smiles:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
