Glycoside
GD062066
Name:
NoneFormula:
C12H17O3N5S2Smiles:
CCSC[C@H]1O[C@@H](n2cnc3c(=S)[nH]c(N)nc32)[C@@H](O)[C@@H]1OAglycone:
Nc1nc2c(c(=S)[nH]1)N=C[N]2Sugarmoiety:
CCSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 343.43 | Num_heavy_atoms: | 22 |
| TPSA: | 122.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD03762
Formula: C5H4N5S
Smiles:
Nc1nc2c(c(=S)[nH]1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.19 | Num_heavy_atoms: | 11 |
| TPSA: | 81.16 | NumAromaticRings: | 1 |
