Glycoside
GD021014
Name:
Spinosyn AFormula:
C41H65O10NSmiles:
CC[C@@H]1CCCC(O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@H]3[C@H]4C[C@@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@H]5OC)C[C@H]4C=C[C@@H]3[C@H]2CC(=O)O1Aglycone:
CCC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.85 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 731.97 | Num_heavy_atoms: | 52 |
| TPSA: | 111.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD09546
Formula: C32H49O6N
Smiles:
CCC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 543.75 | Num_heavy_atoms: | 39 |
| TPSA: | 85.3 | NumAromaticRings: | 0 |
