Glycoside
GD146508
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}oxan-2-yl deca-2,4,7-trienoateFormula:
C22H34O13Smiles:
CCC=CCC=CC=CC(=O)OC1OC(CO)C(O)C(O)C1OOC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CCC=CC=CC(=O)OSugarmoiety:
OCC1OC(OOC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 506.5 | Num_heavy_atoms: | 35 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD22020
Formula: C10H14O2
Smiles:
CCC=CCC=CC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
