Glycoside
GD045890
Name:
NoneFormula:
C11H13O4N3SSmiles:
OC[C@@H]1O[C@@H](n2ccc3c(=S)[nH]cnc32)[C@H](O)[C@@H]1OAglycone:
S=c1[nH]cnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 283.31 | Num_heavy_atoms: | 19 |
| TPSA: | 103.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD25276
Formula: C6H4N3S
Smiles:
S=c1[nH]cnc2c1C=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.19 | Num_heavy_atoms: | 10 |
| TPSA: | 42.78 | NumAromaticRings: | 1 |
