Glycoside
GD117749
Name:
2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4-ethoxy-3-hydroxy-4-oxobutanoic acidFormula:
C15H16O9Smiles:
CCOC(=O)C(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)OAglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
CCOC(=O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 340.28 | Num_heavy_atoms: | 24 |
| TPSA: | 150.59 | 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 |
