Glycoside
GD001821
Name:
5,6-DIHYDRO-21-DESETHYL-21-CYCLOBUTYLSPINOSYN AFormula:
C43H69O10NSmiles:
CO[C@H]1[C@H](OC)[C@H](C)O[C@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@@H]5CC(=O)O[C@H](C6CCC6)CCC[C@H](O[C@@H]6CC[C@H](N(C)C)[C@H](C)O6)[C@H](C)C(=O)C5=C[C@H]4[C@H]3C2)[C@@H]1OCAglycone:
CC1OC(OC2CCCC(C3CCC3)OC(=O)CC3C(=CC4C5CC(O)CC5CCC34)C(=O)C2C)CCC1N(C)CSugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.91 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 760.02 | Num_heavy_atoms: | 54 |
| TPSA: | 111.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD01783
Formula: C34H53O6N
Smiles:
CC1OC(OC2CCCC(C3CCC3)OC(=O)CC3C(=CC4C5CC(O)CC5CCC34)C(=O)C2C)CCC1N(C)C| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 571.8 | Num_heavy_atoms: | 41 |
| TPSA: | 85.3 | NumAromaticRings: | 0 |
