Glycoside
GD121457
Name:
2,3-dihydroxy-4-oxopentyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C14H16O7Smiles:
CC(=O)C(O)C(O)COC(=O)C=Cc1ccc(O)c(O)c1Aglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 124.29 | 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 |
