Glycoside
GD073847
Name:
NoneFormula:
C16H22O6N4SSmiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(-c3cccs3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(-c2cccs2)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 398.44 | Num_heavy_atoms: | 27 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD31957
Formula: C8H9ON3S
Smiles:
OCCn1cc(-c2cccs2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 195.25 | Num_heavy_atoms: | 13 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
