Glycoside
GD120611
Name:
25-methyl ivermectinFormula:
C46H72O14Smiles:
COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(CCC(C)C(C)(C)O5)O4)OC(=O)C4CC(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1OAglycone:
CC1=CCC2CC(CC3(CCC(C)C(C)(C)O3)O2)OC(=O)C2CC(C)C(O)C3OCC(=CC=CC(C)C1O)C23OSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 849.07 | Num_heavy_atoms: | 60 |
| TPSA: | 170.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD48477
Formula: C32H48O8
Smiles:
CC1=CCC2CC(CC3(CCC(C)C(C)(C)O3)O2)OC(=O)C2CC(C)C(O)C3OCC(=CC=CC(C)C1O)C23O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 560.73 | Num_heavy_atoms: | 40 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
