Glycoside
GD120836
Name:
Tricin 7-Rutinoside-4'-GlucosideFormula:
C35H44O21Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 800.72 | Num_heavy_atoms: | 56 |
| TPSA: | 326.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD08658
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
