Glycoside
GD008475
Name:
2-{2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C26H32O14Smiles:
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(O)cc(O)cc3C=Cc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C=Cc2cc(O)cc(O)c2O)cc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 239.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD03488
Formula: C14H12O4
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
