Glycoside
GD119367
Name:
2-[2,6-dimethoxy-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H36O14Smiles:
COc1cc(CC(C)OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CC(C)O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.74 |
| AlogP: | -3.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 536.53 | Num_heavy_atoms: | 37 |
| TPSA: | 217.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD47810
Formula: C11H16O4
Smiles:
COc1cc(CC(C)O)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 212.24 | Num_heavy_atoms: | 15 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
