Glycoside
GD089061
Name:
NoneFormula:
C17H23O8N3SSmiles:
Cc1ccc(S(=O)(=O)O[C@@H](C)c2cn(C[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)nn2)cc1Aglycone:
Cc1ccc(S(=O)(=O)OC(C)c2cn(C)nn2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.45 | Num_heavy_atoms: | 29 |
| TPSA: | 164.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD38917
Formula: C12H15O3N3S
Smiles:
Cc1ccc(S(=O)(=O)OC(C)c2cn(C)nn2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.34 | Num_heavy_atoms: | 19 |
| TPSA: | 74.08 | NumAromaticRings: | 2 |
