Glycoside
GD037457
Name:
3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C23H28O14Smiles:
C=C[C@@H]1[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]1CCOC(=O)c1cc(O)c(O)c(O)c1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 528.46 | Num_heavy_atoms: | 37 |
| TPSA: | 232.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD23591
Formula: C17H18O9
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)c1cc(O)c(O)c(O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.32 | Num_heavy_atoms: | 26 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
