Glycoside
GD157293
Name:
4-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)benzoic acidFormula:
C14H18O9Smiles:
O=C(O)c1ccc(O)cc1COC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)c1ccc(O)cc1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.29 | Num_heavy_atoms: | 23 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD62200
Formula: C8H8O4
Smiles:
O=C(O)c1ccc(O)cc1CO| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
