Glycoside
GD008300
Name:
NoneFormula:
C18H19O5N3Smiles:
COc1ccc(-c2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(-c2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 357.37 | Num_heavy_atoms: | 26 |
| TPSA: | 109.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD06642
Formula: C13H10ON3
Smiles:
COc1ccc(-c2ncnc3c2C=C[N]3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.24 | Num_heavy_atoms: | 17 |
| TPSA: | 49.11 | NumAromaticRings: | 2 |
