Glycoside
GD099347
Name:
NoneFormula:
C19H25O8N3SSmiles:
CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2C#N)C1Aglycone:
CC(C)(C)OC(=O)N1CCc2c(sc(N)c2C#N)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.49 | Num_heavy_atoms: | 31 |
| TPSA: | 180.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD42251
Formula: C13H17O2N3S
Smiles:
CC(C)(C)OC(=O)N1CCc2c(sc(N)c2C#N)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 279.37 | Num_heavy_atoms: | 19 |
| TPSA: | 79.35 | NumAromaticRings: | 1 |
