Glycoside
GD056271
Name:
NoneFormula:
C12H19O7N3SSmiles:
COc1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc([S@](C)=O)n1Aglycone:
COc1cc(N)nc(S(C)=O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 349.37 | Num_heavy_atoms: | 23 |
| TPSA: | 154.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD28308
Formula: C6H9O2N3S
Smiles:
COc1cc(N)nc(S(C)=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 187.22 | Num_heavy_atoms: | 12 |
| TPSA: | 78.1 | NumAromaticRings: | 1 |
