Glycoside
GD138193
Name:
6-Hydroxytricetin 6,7,3',5'-Tetramethyl Eter 5-RobinobiosideFormula:
C31H38O17Smiles:
COc1cc(-c2cc(=O)c3c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)c(OC)c(OC)cc3o2)cc(OC)c1OAglycone:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc(OC)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 682.63 | Num_heavy_atoms: | 48 |
| TPSA: | 245.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD45745
Formula: C19H18O8
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc(OC)c1O| 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 |
