Glycoside
GD005107
Name:
NoneFormula:
C26H30O9N6Smiles:
CCOc1ccc(C2=C(OCC(=O)NC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)COC2=O)cc1OCCAglycone:
CCOc1ccc(C2=C(OCC(=O)NC)COC2=O)cc1OCC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 570.56 | Num_heavy_atoms: | 41 |
| 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 |
AD04372
Formula: C17H21O6N
Smiles:
CCOc1ccc(C2=C(OCC(=O)NC)COC2=O)cc1OCC| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 335.36 | Num_heavy_atoms: | 24 |
| TPSA: | 83.09 | NumAromaticRings: | 1 |
