Glycoside
GD076410
Name:
NoneFormula:
C16H22O7N2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccc(CS(=O)(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.43 | Num_heavy_atoms: | 26 |
| TPSA: | 149.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD35240
Formula: C10H12O3N2S
Smiles:
N#Cc1ccc(CS(=O)(=O)NCCO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 240.28 | Num_heavy_atoms: | 16 |
| TPSA: | 90.19 | NumAromaticRings: | 1 |
