Glycoside
GD149648
Name:
Spinosyn BFormula:
C40H63O10NSmiles:
CCC1CCCC(OC2CCC(NC)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(OC5OC(C)C(OC)C(OC)C5OC)CC43)C2CC(=O)O1Aglycone:
CCC1CCCC(OC2CCC(NC)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: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 717.94 | Num_heavy_atoms: | 51 |
| TPSA: | 120.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD59824
Formula: C31H47O6N
Smiles:
CCC1CCCC(OC2CCC(NC)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 529.72 | Num_heavy_atoms: | 38 |
| TPSA: | 94.09 | NumAromaticRings: | 0 |
