Glycoside
GD135638
Name:
26-(3-Methyl-2-Butenoyloxy)Avermectin B1AFormula:
C53H78O16Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(COC(=O)C=C(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(COC(=O)C=C(C)C)=CC(C(=O)O1)C34O)O2Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 5.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 971.19 | Num_heavy_atoms: | 69 |
| TPSA: | 196.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD54847
Formula: C39H54O10
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(COC(=O)C=C(C)C)=CC(C(=O)O1)C34O)O2| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 682.85 | Num_heavy_atoms: | 49 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
