Glycoside
GD126478
Name:
3''-O-Demethylavermectin A2AFormula:
C46H70O15Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(O)C(OC5CC(O)C(O)C(C)O5)C(C)O4)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1CAglycone:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1CSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 863.05 | Num_heavy_atoms: | 61 |
| TPSA: | 212.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD08649
Formula: C34H50O9
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 602.77 | Num_heavy_atoms: | 43 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
