Glycoside
GD128618
Name:
MultirosideFormula:
C31H42O19Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCO)C1CC(=O)OCCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
COC(=O)C1=COC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 13 |
| MolWt: | 718.66 | Num_heavy_atoms: | 50 |
| TPSA: | 301.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD52099
Formula: C19H22O9
Smiles:
COC(=O)C1=COC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)c(O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
