Glycoside
GD033694
Name:
NoneFormula:
C36H42O24Smiles:
COc1ccc(-c2oc3cc(OCC(=O)O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(-c2oc3cc(OCC(=O)O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -4.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 858.71 | Num_heavy_atoms: | 60 |
| TPSA: | 380.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD21486
Formula: C18H14O9
Smiles:
COc1ccc(-c2oc3cc(OCC(=O)O)cc(O)c3c(=O)c2O)cc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.3 | Num_heavy_atoms: | 27 |
| TPSA: | 146.66 | NumAromaticRings: | 3 |
