Glycoside
GD018470
Name:
NoneFormula:
C19H18O6N4SSmiles:
COc1ccc(-c2c(C#N)c(N)nc(S[C@@H]3O[C@H](O)[C@H](O)[C@H](O)[C@H]3O)c2C#N)cc1Aglycone:
COc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.44 | Num_heavy_atoms: | 30 |
| TPSA: | 185.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD13028
Formula: C14H10ON4S
Smiles:
COc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.33 | Num_heavy_atoms: | 20 |
| TPSA: | 95.72 | NumAromaticRings: | 2 |
