Glycoside
GD133537
Name:
6-hydroxy-2,6-dimethylocta-2,7-dienoyl 5-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxybenzoateFormula:
C28H38O15Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC(=O)c1cc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)ccc1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC(=O)c1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 614.6 | Num_heavy_atoms: | 43 |
| TPSA: | 242.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD54041
Formula: C17H20O6
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC(=O)c1cc(O)ccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 320.34 | Num_heavy_atoms: | 23 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
