Glycoside
GD061015
Name:
NoneFormula:
C17H23O5N3Smiles:
CCCc1ccc(-c2cn(C[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)nn2)cc1Aglycone:
CCCc1ccc(-c2cn(C)nn2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 349.39 | Num_heavy_atoms: | 25 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD29981
Formula: C12H15N3
Smiles:
CCCc1ccc(-c2cn(C)nn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 201.27 | Num_heavy_atoms: | 15 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
