Glycoside
GD128494
Name:
2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxybutanoic acidFormula:
C13H14O8Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)COAglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.25 | Num_heavy_atoms: | 21 |
| TPSA: | 144.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD03296
Formula: C9H8O3
Smiles:
O=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
