Glycoside
GD010019
Name:
2-[2-hydroxy-6-(hydroxymethyl)phenoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C19H28O13Smiles:
OCc1cccc(O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCc1cccc(O)c1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.42 | Num_heavy_atoms: | 32 |
| TPSA: | 218.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD04341
Formula: C7H8O3
Smiles:
OCc1cccc(O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
