Glycoside
GD102460
Name:
NoneFormula:
C19H20O4N6S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NC(=S)NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
O=C(NC(=S)Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.54 | Num_heavy_atoms: | 31 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD39861
Formula: C13H9ON6S
Smiles:
O=C(NC(=S)Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.32 | Num_heavy_atoms: | 21 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
