Glycoside
GD021257
Name:
NoneFormula:
C16H22O8N4SSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H]1OAglycone:
NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.44 | Num_heavy_atoms: | 29 |
| TPSA: | 179.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD07214
Formula: C9H10O3N4S
Smiles:
NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.27 | Num_heavy_atoms: | 17 |
| TPSA: | 111.1 | NumAromaticRings: | 2 |
