Glycoside
GD023936
Name:
NoneFormula:
C18H30O9NSmiles:
CC[N+](C)(C)[C@@H]1C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC[NH+](C)C.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.44 | Num_heavy_atoms: | 28 |
| TPSA: | 114.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD09985
Formula: C4H12N
Smiles:
CC[NH+](C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.15 | Num_heavy_atoms: | 5 |
| TPSA: | 4.44 | NumAromaticRings: | 0 |
