Glycoside
GD122592
Name:
2-(4-{1,3-dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H34O13Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(CO)cc2OC)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(CO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 542.53 | Num_heavy_atoms: | 38 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD49414
Formula: C19H24O8
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(CO)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 380.39 | Num_heavy_atoms: | 27 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
