Glycoside
GD022565
Name:
2-[(5-{[2-(4-hydroxy-3-methoxyphenyl)ethenyl]oxy}-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H30O12Smiles:
COc1cc(C=CO[C@H]2[C@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3[C@]3(CO)O[C@@H]23)ccc1OAglycone:
COc1cc(C=COC2C3C=COC(O)C3C3(CO)OC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 180.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD15281
Formula: C18H20O7
Smiles:
COc1cc(C=COC2C3C=COC(O)C3C3(CO)OC23)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 100.91 | NumAromaticRings: | 1 |
