Glycoside
GD021504
Name:
REHMAGLUTOSIDE CFormula:
C30H42O17Smiles:
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)cc(OC)c1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc(OC)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 674.65 | Num_heavy_atoms: | 47 |
| TPSA: | 252.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD14700
Formula: C18H22O8
Smiles:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 114.68 | NumAromaticRings: | 1 |
