Glycoside
GD017324
Name:
REHMAGLUTOSIDE EFormula:
C34H40O15Smiles:
COc1cc([C@@H]2Oc3c(O)cc(C=CC(=O)O[C@@H]4C[C@@](C)(O)[C@@H]5[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)OC=C[C@@H]45)cc3[C@H]2CO)ccc1OAglycone:
COc1cc(C2Oc3c(O)cc(C=CC(=O)OC4CC(C)(O)C5C(O)OC=CC45)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 688.68 | Num_heavy_atoms: | 49 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD12369
Formula: C28H30O10
Smiles:
COc1cc(C2Oc3c(O)cc(C=CC(=O)OC4CC(C)(O)C5C(O)OC=CC45)cc3C2CO)ccc1O| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.54 | Num_heavy_atoms: | 38 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
