Glycoside
GD153626
Name:
2-[4-hydroxy-2-(3-hydroxy-3-methylbutyl)-5-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C18H28O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c(CCC(C)(C)O)cc1OAglycone:
COc1cc(O)c(CCC(C)(C)O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.41 | Num_heavy_atoms: | 27 |
| TPSA: | 149.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD61077
Formula: C12H18O4
Smiles:
COc1cc(O)c(CCC(C)(C)O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.27 | Num_heavy_atoms: | 16 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
