Glycoside
GD067344
Name:
NoneFormula:
C15H20O7N2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(C#N)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccc(S(=O)(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 372.4 | Num_heavy_atoms: | 25 |
| TPSA: | 149.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD32129
Formula: C9H10O3N2S
Smiles:
N#Cc1ccc(S(=O)(=O)NCCO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.26 | Num_heavy_atoms: | 15 |
| TPSA: | 90.19 | NumAromaticRings: | 1 |
