Glycoside
GD007321
Name:
NoneFormula:
C15H17O4N5SSmiles:
Nc1nc(N)c2c(-c3cccs3)cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc(N)c2c(n1)[N]C=C2c1cccs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.4 | Num_heavy_atoms: | 25 |
| TPSA: | 152.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD05972
Formula: C10H8N5S
Smiles:
Nc1nc(N)c2c(n1)[N]C=C2c1cccs1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.28 | Num_heavy_atoms: | 16 |
| TPSA: | 91.92 | NumAromaticRings: | 2 |
