Glycoside
GD018831
Name:
SPINOSYN EFormula:
C40H63O10NSmiles:
CO[C@H]1[C@H](OC)[C@H](C)O[C@H](O[C@@H]2C[C@@H]3C=C[C@@H]4[C@@H]5CC(=O)O[C@H](C)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:
CC1CCCC(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: | 5.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 717.94 | Num_heavy_atoms: | 51 |
| TPSA: | 111.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD13213
Formula: C31H47O6N
Smiles:
CC1CCCC(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: | 4.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 529.72 | Num_heavy_atoms: | 38 |
| TPSA: | 85.3 | NumAromaticRings: | 0 |
