Glycoside
GD000257
Name:
NoneFormula:
C22H18O5N4SSmiles:
N#Cc1c(N)nc(S[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)c(C#N)c1-c1ccc2ccccc2c1Aglycone:
N#Cc1c(N)nc(S)c(C#N)c1-c1ccc2ccccc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.48 | Num_heavy_atoms: | 32 |
| TPSA: | 176.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD00298
Formula: C17H10N4S
Smiles:
N#Cc1c(N)nc(S)c(C#N)c1-c1ccc2ccccc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.36 | Num_heavy_atoms: | 22 |
| TPSA: | 86.49 | NumAromaticRings: | 3 |
