Glycoside
GD146859
Name:
Caratuberside GFormula:
C62H88O21Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)OC(=O)c5ccccc5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Aglycone:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 17 |
| MolWt: | 1169.37 | Num_heavy_atoms: | 83 |
| TPSA: | 275.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD47847
Formula: C35H42O6
Smiles:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 558.72 | Num_heavy_atoms: | 41 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
