Glycoside
GD061168
Name:
NoneFormula:
C17H23O5N3Smiles:
CC(C)c1ccc2ncnc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2c1Aglycone:
CC(C)c1ccc2ncnc(N)c2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.39 | Num_heavy_atoms: | 25 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD30037
Formula: C11H13N3
Smiles:
CC(C)c1ccc2ncnc(N)c2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 187.25 | Num_heavy_atoms: | 14 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
