Glycoside
GD151518
Name:
2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H24O9Smiles:
COc1cc(CC(CO)OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(CC(O)CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 360.36 | Num_heavy_atoms: | 25 |
| TPSA: | 149.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD10907
Formula: C10H14O4
Smiles:
COc1cc(CC(O)CO)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
