Glycoside
GD103917
Name:
NoneFormula:
C22H31O8N3SSmiles:
CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 497.57 | Num_heavy_atoms: | 34 |
| TPSA: | 172.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD43942
Formula: C16H21O3N3S
Smiles:
CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccc(S)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.43 | Num_heavy_atoms: | 23 |
| TPSA: | 82.43 | NumAromaticRings: | 1 |
