Glycoside
GD080889
Name:
NoneFormula:
C16H25O7N3SSmiles:
O=S(=O)(c1cccnc1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)N1CCCCC1Aglycone:
Nc1ncccc1S(=O)(=O)N1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.46 | Num_heavy_atoms: | 27 |
| TPSA: | 152.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD36520
Formula: C10H15O2N3S
Smiles:
Nc1ncccc1S(=O)(=O)N1CCCCC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.32 | Num_heavy_atoms: | 16 |
| TPSA: | 76.29 | NumAromaticRings: | 1 |
