Glycoside
GD000673
Name:
NoneFormula:
C25H24O5N4Smiles:
Cc1ccccc1-c1cn([C@@H]2OC[C@H](O)[C@H]2O)c2ncnc(Nc3ccc4c(c3)OCCO4)c12Aglycone:
Cc1ccccc1C1=C[N]c2ncnc(Nc3ccc4c(c3)OCCO4)c21Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.49 | Num_heavy_atoms: | 34 |
| TPSA: | 110.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD00726
Formula: C21H17O2N4
Smiles:
Cc1ccccc1C1=C[N]c2ncnc(Nc3ccc4c(c3)OCCO4)c21| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.39 | Num_heavy_atoms: | 27 |
| TPSA: | 70.37 | NumAromaticRings: | 3 |
