Glycoside
GD069883
Name:
NoneFormula:
C16H22O6N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](C#N)Cc2cccs2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#CC(Cc1cccs1)C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 370.43 | Num_heavy_atoms: | 25 |
| TPSA: | 132.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD33099
Formula: C10H12O2N2S
Smiles:
N#CC(Cc1cccs1)C(=O)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.28 | Num_heavy_atoms: | 15 |
| TPSA: | 73.12 | NumAromaticRings: | 1 |
