Glycoside
GD010268
Name:
CILIATOSIDE BFormula:
C41H48O23Smiles:
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]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
OCC1(O)COC(OC2C(O)COC(OC3C(O)OCC3(O)COC3OCC(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 13 |
| MolWt: | 908.81 | Num_heavy_atoms: | 64 |
| TPSA: | 319.13 | 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 |
