Glycoside
GD002482
Name:
CILIATOSIDE AFormula:
C36H40O19Smiles:
COc1cc2c(O[C@@H]3OC[C@](O)(CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
OC1COC(OCC2(O)COC(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 776.7 | Num_heavy_atoms: | 55 |
| TPSA: | 260.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD00663
Formula: C21H16O7
Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.35 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
