Glycoside
GD074942
Name:
NoneFormula:
C15H22O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cncc(S(C)(=O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CS(=O)(=O)c1cncc(C(=O)NCCO)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.41 | Num_heavy_atoms: | 26 |
| TPSA: | 155.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD34672
Formula: C9H12O4N2S
Smiles:
CS(=O)(=O)c1cncc(C(=O)NCCO)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 244.27 | Num_heavy_atoms: | 16 |
| TPSA: | 96.36 | NumAromaticRings: | 1 |
