Glycoside
GD019950
Name:
ISOLINARIIN AFormula:
C31H36O16Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)[C@H](O)C5OC(C)=O)[C@H](O)[C@H](O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.61 | Num_heavy_atoms: | 47 |
| TPSA: | 233.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00146
Formula: C17H14O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
