Glycoside
GD148397
Name:
2-[4-hydroxy-2-(3-hydroxy-3-methylbutyl)-5-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C18H28O8Smiles:
Cc1cc(OC2OC(CO)C(O)C(O)C2O)c(CCC(C)(C)O)cc1OAglycone:
Cc1cc(O)c(CCC(C)(C)O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 372.41 | Num_heavy_atoms: | 26 |
| TPSA: | 139.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD59384
Formula: C12H18O3
Smiles:
Cc1cc(O)c(CCC(C)(C)O)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.27 | Num_heavy_atoms: | 15 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
