Glycoside
GD021549
Name:
NoneFormula:
C16H18O4N4SSmiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cc(-c2cccs2)c2c(N)ncnc21Aglycone:
Nc1ncnc2c1C(c1cccs1)=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.41 | Num_heavy_atoms: | 25 |
| TPSA: | 126.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD04035
Formula: C10H7N4S
Smiles:
Nc1ncnc2c1C(c1cccs1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 215.26 | Num_heavy_atoms: | 15 |
| TPSA: | 65.9 | NumAromaticRings: | 2 |
