Glycoside
GD033324
Name:
GLUCOPUTRANJIVINFormula:
C10H19O9NS2Smiles:
CC(C)C(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)C(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 361.39 | Num_heavy_atoms: | 22 |
| TPSA: | 166.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD21282
Formula: C4H9O4NS2
Smiles:
CC(C)C(S)=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 199.25 | Num_heavy_atoms: | 11 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
