Glycoside
GD117023
Name:
methyl 2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C14H18O10Smiles:
COC(=O)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.29 | Num_heavy_atoms: | 24 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD02200
Formula: C8H8O5
Smiles:
COC(=O)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
