Glycoside
GD123399
Name:
Isocaviunin 7-O-GentiobiosideFormula:
C31H38O18Smiles:
COc1cc(OC)c(-c2coc3c(OC)c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)cc(O)c3c2=O)cc1OCAglycone:
COc1cc(OC)c(-c2coc3c(OC)c(O)cc(O)c3c2=O)cc1OCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 698.63 | Num_heavy_atoms: | 49 |
| TPSA: | 265.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD49794
Formula: C19H18O8
Smiles:
COc1cc(OC)c(-c2coc3c(OC)c(O)cc(O)c3c2=O)cc1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
