Glycoside
GD082888
Name:
NoneFormula:
C16H22O8N2SSmiles:
COc1ccc(C#N)c(S(=O)(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1Aglycone:
COc1ccc(C#N)c(S(=O)(=O)NCCO)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.43 | Num_heavy_atoms: | 27 |
| TPSA: | 158.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD37126
Formula: C10H12O4N2S
Smiles:
COc1ccc(C#N)c(S(=O)(=O)NCCO)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 256.28 | Num_heavy_atoms: | 17 |
| TPSA: | 99.42 | NumAromaticRings: | 1 |
