Glycoside
GD084964
Name:
NoneFormula:
C17H21O4N6SSmiles:
Cc1cc(Nc2[nH]c(=S)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(C)[nH+]1Aglycone:
Cc1cc(Nc2[nH]c(=S)nc3c2N=C[N]3)cc(C)[nH+]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 405.46 | Num_heavy_atoms: | 28 |
| TPSA: | 142.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD38023
Formula: C12H12N6S
Smiles:
Cc1cc(Nc2[nH]c(=S)nc3c2N=C[N]3)cc(C)[nH+]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.34 | Num_heavy_atoms: | 19 |
| TPSA: | 81.31 | NumAromaticRings: | 2 |
