Glycoside
GD125802
Name:
avermectin b1a 4"-beta-2-deoxy-d-glucosideFormula:
C54H82O18Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(C)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(O)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 1019.23 | Num_heavy_atoms: | 72 |
| TPSA: | 228.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00521
Formula: C34H48O8
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 584.75 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
