Glycoside
GD034056
Name:
NoneFormula:
C24H25O4N9SSmiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2c(SCC(=O)NCCc3ccc4ccccc4c3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc3ccccc3c1)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 535.59 | Num_heavy_atoms: | 38 |
| TPSA: | 197.17 | NumAromaticRings: | 4 |
Unique Aglycone
AD21691
Formula: C19H17ON6S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc3ccccc3c1)[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 377.45 | Num_heavy_atoms: | 27 |
| TPSA: | 107.36 | NumAromaticRings: | 3 |
