Glycoside
GD034796
Name:
3-ethylidene-4-(2-methoxy-2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C17H24O11Smiles:
CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)OCAglycone:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.37 | Num_heavy_atoms: | 28 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD06011
Formula: C11H14O6
Smiles:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
