Glycoside
GD065522
Name:
NoneFormula:
C15H20O6N2SSmiles:
O=C1CSCN1c1ccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1Aglycone:
Nc1ccc(N2CSCC2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.4 | Num_heavy_atoms: | 24 |
| TPSA: | 122.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD31511
Formula: C9H10ON2S
Smiles:
Nc1ccc(N2CSCC2=O)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.26 | Num_heavy_atoms: | 13 |
| TPSA: | 46.33 | NumAromaticRings: | 1 |
