Glycoside
GD035589
Name:
NoneFormula:
C21H25O4N9SSmiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2c(SCC(=O)NCCCc3ccccc3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCCc1ccccc1)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 499.56 | Num_heavy_atoms: | 35 |
| TPSA: | 197.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD22510
Formula: C16H17ON6S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCCc1ccccc1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 341.42 | Num_heavy_atoms: | 24 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
