Glycoside
GD032056
Name:
SELAMECTINFormula:
C43H63O11NSmiles:
CO[C@@H]1C[C@H](O[C@@H]2C(C)=CC[C@@H]3C[C@H](C[C@]4(CC[C@H](C)[C@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)C(=NO)[C@@H]4OCC(=CC=C[C@H]2C)[C@@]43O)O[C@H](C)[C@H]1OAglycone:
CC1=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC(C1=NO)C42O)OC1(CCC(C)C(C2CCCCC2)O1)C3Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 6.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 769.97 | Num_heavy_atoms: | 55 |
| TPSA: | 154.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD00462
Formula: C36H51O8N
Smiles:
CC1=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC(C1=NO)C42O)OC1(CCC(C)C(C2CCCCC2)O1)C3| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 625.8 | Num_heavy_atoms: | 45 |
| TPSA: | 127.04 | NumAromaticRings: | 0 |
