Glycoside
GD008153
Name:
NoneFormula:
C19H22O7N6SSmiles:
O=[N+]([O-])c1ccc(CSc2nc(NCCO)nc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(CSc2nc(NCCO)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 478.49 | Num_heavy_atoms: | 33 |
| TPSA: | 188.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD06550
Formula: C14H13O3N6S
Smiles:
O=[N+]([O-])c1ccc(CSc2nc(NCCO)nc3c2N=C[N]3)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 345.36 | Num_heavy_atoms: | 24 |
| TPSA: | 127.64 | NumAromaticRings: | 2 |
