Glycoside
GD134987
Name:
Avermectin A1Formula:
C48H72O14Smiles:
COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C(C)C)O5)O4)OC(=O)C4C=C(C)C(OC)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1OAglycone:
COC1C(C)=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC1C42O)OC1(C=CC(C)C(C(C)C)O1)C3Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 873.09 | Num_heavy_atoms: | 62 |
| TPSA: | 159.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD54591
Formula: C34H48O8
Smiles:
COC1C(C)=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC1C42O)OC1(C=CC(C)C(C(C)C)O1)C3| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 584.75 | Num_heavy_atoms: | 42 |
| TPSA: | 103.68 | NumAromaticRings: | 0 |
