Glycoside
GD136350
Name:
3,4,5-trihydroxypentan-2-yl 2,4-dihydroxy-6-methylbenzoateFormula:
C13H18O7Smiles:
Cc1cc(O)cc(O)c1C(=O)OC(C)C(O)C(O)COAglycone:
Cc1cc(O)cc(O)c1C=OSugarmoiety:
CC(OO)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 286.28 | Num_heavy_atoms: | 20 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD13193
Formula: C8H8O3
Smiles:
Cc1cc(O)cc(O)c1C=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
