Glycoside
GD053110
Name:
NoneFormula:
C11H16O7N4SSmiles:
O=c1[nH]cc(NC(=S)N[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)c(=O)[nH]1Aglycone:
NC(=S)Nc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.34 | Num_heavy_atoms: | 23 |
| TPSA: | 179.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD27203
Formula: C5H6O2N4S
Smiles:
NC(=S)Nc1c[nH]c(=O)[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.2 | Num_heavy_atoms: | 12 |
| TPSA: | 103.77 | NumAromaticRings: | 1 |
