Glycoside
GD140317
Name:
2-[4-hydroxy-2-(3-hydroxy-3-methylbutyl)-3,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H30O10Smiles:
COc1cc(O)c(OC)c(CCC(C)(C)O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c(OC)c(CCC(C)(C)O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.44 | Num_heavy_atoms: | 29 |
| TPSA: | 158.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD56580
Formula: C13H20O5
Smiles:
COc1cc(O)c(OC)c(CCC(C)(C)O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 256.3 | Num_heavy_atoms: | 18 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
