Glycoside
GD033097
Name:
NoneFormula:
C27H34O16Smiles:
COc1cc([C@H](O)CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc2O)ccc1OAglycone:
COc1cc(C(O)CC(=O)c2c(O)cc(O)cc2O)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 614.55 | Num_heavy_atoms: | 43 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD21150
Formula: C16H16O7
Smiles:
COc1cc(C(O)CC(=O)c2c(O)cc(O)cc2O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
