Glycoside
GD128325
Name:
2-[4-(3-hydroxybutyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C17H26O8Smiles:
COc1cc(CCC(C)O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CCC(C)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.39 | Num_heavy_atoms: | 25 |
| TPSA: | 128.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD51980
Formula: C11H16O3
Smiles:
COc1cc(CCC(C)O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 196.25 | Num_heavy_atoms: | 14 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
