Glycoside
GD012334
Name:
NoneFormula:
C20H23O4N9SSmiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2c(SCC(=O)NCCc3ccccc3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccccc1)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 485.53 | Num_heavy_atoms: | 34 |
| TPSA: | 197.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD09319
Formula: C15H15ON6S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccccc1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 327.39 | Num_heavy_atoms: | 23 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
