Glycoside
GD011600
Name:
NoneFormula:
C22H21O15SSmiles:
COc1ccc(-c2oc3cc(OS(=O)(=O)[O-])cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OAglycone:
COc1ccc(-c2oc3cc(OS(=O)(=O)[O-])cc(O)c3c(=O)c2O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 557.46 | Num_heavy_atoms: | 38 |
| TPSA: | 245.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD08847
Formula: C16H11O10S
Smiles:
COc1ccc(-c2oc3cc(OS(=O)(=O)[O-])cc(O)c3c(=O)c2O)cc1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.32 | Num_heavy_atoms: | 27 |
| TPSA: | 166.56 | NumAromaticRings: | 3 |
