Glycoside
GD034806
Name:
2-(hydroxymethyl)-6-{3-methoxy-5-[2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}oxane-3,4,5-triolFormula:
C27H34O13Smiles:
COc1cc(C=Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COc1cc(O)cc(C=Cc2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD02082
Formula: C15H14O3
Smiles:
COc1cc(O)cc(C=Cc2ccc(O)cc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
