Glycoside
GD142926
Name:
Avermectin A2Formula:
C48H74O15Smiles:
COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(CC(O)C(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(C3)CC(O)C(C)C(C(C)C)O1Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 891.11 | Num_heavy_atoms: | 63 |
| TPSA: | 179.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD50411
Formula: C34H50O9
Smiles:
COC1C(C)=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC1C42O)OC1(C3)CC(O)C(C)C(C(C)C)O1| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 602.77 | Num_heavy_atoms: | 43 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
