Glycoside
GD141188
Name:
methyl 4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C14H18O9Smiles:
COC(=O)c1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COC(=O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.29 | Num_heavy_atoms: | 23 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD13436
Formula: C8H8O4
Smiles:
COC(=O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
