Glycoside
GD149078
Name:
Rhamnocitrin 3-(5'''-P-Coumarylapiosyl)-(1->2)-GlucosideFormula:
C36H36O17Smiles:
COc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(COC(=O)C=Cc4ccc(O)cc4)C3O)c(-c3ccc(O)cc3)oc2c1Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 740.67 | Num_heavy_atoms: | 53 |
| TPSA: | 264.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD01882
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
