Glycoside
GD025811
Name:
NoneFormula:
C24H26O9N6Smiles:
COc1ccc(C2=C(OCC(=O)NC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)COC2=O)cc1OCAglycone:
CNC(=O)COC1=C(c2ccc(OC)c(OC)c2)C(=O)OC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 542.51 | Num_heavy_atoms: | 39 |
| TPSA: | 202.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD17079
Formula: C15H17O6N
Smiles:
CNC(=O)COC1=C(c2ccc(OC)c(OC)c2)C(=O)OC1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.3 | Num_heavy_atoms: | 22 |
| TPSA: | 83.09 | NumAromaticRings: | 1 |
