Glycoside
GD003678
Name:
NoneFormula:
C21H26O8N6SSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)nn2)[C@H]1OAglycone:
Cc1ccnc(NS(=O)(=O)c2ccc(-n3cc(CO)nn3)cc2)n1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 522.54 | Num_heavy_atoms: | 36 |
| TPSA: | 191.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD03309
Formula: C14H14O3N6S
Smiles:
Cc1ccnc(NS(=O)(=O)c2ccc(-n3cc(CO)nn3)cc2)n1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 346.37 | Num_heavy_atoms: | 24 |
| TPSA: | 122.89 | NumAromaticRings: | 3 |
