Glycoside
GD031902
Name:
NoneFormula:
C31H32O18Smiles:
COc1cc2cc(Oc3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c4ccc(=O)oc4c3)c(=O)oc2cc1OAglycone:
COc1cc2cc(Oc3cc(O)c4ccc(=O)oc4c3)c(=O)oc2cc1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 692.58 | Num_heavy_atoms: | 49 |
| TPSA: | 277.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD20515
Formula: C19H12O8
Smiles:
COc1cc2cc(Oc3cc(O)c4ccc(=O)oc4c3)c(=O)oc2cc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.3 | Num_heavy_atoms: | 27 |
| TPSA: | 119.34 | NumAromaticRings: | 4 |
