Glycoside
GD043175
Name:
NoneFormula:
C8H11O5N3SSmiles:
O=c1cnn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]1Aglycone:
O=c1cn[nH]c(=S)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.26 | Num_heavy_atoms: | 17 |
| TPSA: | 120.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD10758
Formula: C3H3ON3S
Smiles:
O=c1cn[nH]c(=S)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.14 | Num_heavy_atoms: | 8 |
| TPSA: | 61.54 | NumAromaticRings: | 1 |
