Glycoside
GD020452
Name:
NoneFormula:
C25H26O6N6SSmiles:
O=[N+]([O-])c1ccc(CSc2nc(NCCc3ccccc3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(CSc2nc(NCCc3ccccc3)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 538.59 | Num_heavy_atoms: | 38 |
| TPSA: | 168.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD14121
Formula: C20H17O2N6S
Smiles:
O=[N+]([O-])c1ccc(CSc2nc(NCCc3ccccc3)nc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 405.46 | Num_heavy_atoms: | 29 |
| TPSA: | 107.41 | NumAromaticRings: | 3 |
