Glycoside
GD095274
Name:
NoneFormula:
C18H30O10N2SSmiles:
CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)CCS2(=O)=OAglycone:
CC(C)(C)OC(=O)N1CC2(C1)C(C(N)=O)CCS2(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 466.51 | Num_heavy_atoms: | 31 |
| TPSA: | 182.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD40658
Formula: C12H20O5N2S
Smiles:
CC(C)(C)OC(=O)N1CC2(C1)C(C(N)=O)CCS2(=O)=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.37 | Num_heavy_atoms: | 20 |
| TPSA: | 106.77 | NumAromaticRings: | 0 |
