Glycoside
GD033527
Name:
NoneFormula:
C19H18O5N4Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cnc3c(-c4ccc(OC)cc4)ncnc32)[C@H]1OAglycone:
COc1ccc(-c2ncnc3c2N=C[N]3)cc1Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.38 | Num_heavy_atoms: | 28 |
| TPSA: | 122.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD01360
Formula: C12H9ON4
Smiles:
COc1ccc(-c2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.23 | Num_heavy_atoms: | 17 |
| TPSA: | 61.47 | NumAromaticRings: | 2 |
