Glycoside
GD013697
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]oxy}oxane-3,4,5-triolFormula:
C21H30O12Smiles:
COc1cc(C=CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(C=CCO)ccc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD05908
Formula: C10H12O3
Smiles:
COc1cc(C=CCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
