Glycoside
GD013335
Name:
NoneFormula:
C32H42O17Smiles:
COc1cc([C@@H]2Oc3c(OC)cc(C(C)=O)cc3[C@H]2CO)cc(OC)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2Oc3c(OC)cc(C(C)=O)cc3C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 12 |
| MolWt: | 698.67 | Num_heavy_atoms: | 49 |
| TPSA: | 252.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD09967
Formula: C20H22O7
Smiles:
COc1cc(C2Oc3c(OC)cc(C(C)=O)cc3C2CO)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
