Glycoside
GD157111
Name:
2-hydroxy-1-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acidFormula:
C15H14O10Smiles:
O=C(O)CC(O)(C(=O)O)C(OC(=O)C=Cc1ccc(O)cc1)C(=O)OAglycone:
O=CC=Cc1ccc(O)cc1Sugarmoiety:
O=C(O)CC(O)(C(=O)O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 354.27 | Num_heavy_atoms: | 25 |
| TPSA: | 178.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD03800
Formula: C9H8O2
Smiles:
O=CC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
