Glycoside
GD067986
Name:
methyl 3,5-dimethoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoateFormula:
C16H22O9Smiles:
COC(=O)c1cc(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(OC)c1Aglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 123.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
