Glycoside
GD127713
Name:
2-hydroxy-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acidFormula:
C13H12O8Smiles:
O=C(C=Cc1ccc(O)cc1)OC(C(=O)O)C(O)C(=O)OAglycone:
O=CC=Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 296.23 | Num_heavy_atoms: | 21 |
| TPSA: | 141.36 | 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 |
