Glycoside
GD133008
Name:
4,5-dihydroxy-2-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoic acidFormula:
C14H18O10Smiles:
COc1c(C(=O)O)cc(O)c(O)c1C1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c(O)cc1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.29 | Num_heavy_atoms: | 24 |
| TPSA: | 177.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD53845
Formula: C8H8O5
Smiles:
COc1cc(O)c(O)cc1C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
