Glycoside
GD078797
Name:
NoneFormula:
C18H16O4N4SSmiles:
N#Cc1c(-c2ccccc2)c(C#N)c(=S)n([C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c1NAglycone:
N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.42 | Num_heavy_atoms: | 27 |
| TPSA: | 148.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD04697
Formula: C13H8N4S
Smiles:
N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 252.3 | Num_heavy_atoms: | 18 |
| TPSA: | 89.39 | NumAromaticRings: | 2 |
