Glycoside
GD051017
Name:
NoneFormula:
C11H20O7N2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)[C@H](C)C#N)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C#N)S(=O)(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.36 | Num_heavy_atoms: | 21 |
| TPSA: | 149.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD26816
Formula: C5H10O3N2S
Smiles:
CC(C#N)S(=O)(=O)NCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 178.21 | Num_heavy_atoms: | 11 |
| TPSA: | 90.19 | NumAromaticRings: | 0 |
