Glycoside
GD141388
Name:
2-hydroxy-1-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acidFormula:
C16H16O11Smiles:
COc1cc(C=CC(=O)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O)ccc1OAglycone:
COc1cc(C=CC=O)ccc1OSugarmoiety:
O=C(O)CC(O)(C(=O)O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 384.29 | Num_heavy_atoms: | 27 |
| TPSA: | 187.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD06867
Formula: C10H10O3
Smiles:
COc1cc(C=CC=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
