Glycoside
GD155523
Name:
2-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]oxane-3,4,5-triolFormula:
C19H28O12Smiles:
COc1cc(CCOC2OC(OC3OCC(O)(CO)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(CCO)ccc1OSugarmoiety:
OCC1(O)COC(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.42 | Num_heavy_atoms: | 31 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD00176
Formula: C9H12O3
Smiles:
COc1cc(CCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
