Glycoside
GD076354
Name:
NoneFormula:
C18H21O7N3Smiles:
C#CCOc1cccc(OCc2cn(C[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)nn2)c1Aglycone:
C#CCOc1cccc(OCc2cn(C)nn2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.38 | Num_heavy_atoms: | 28 |
| TPSA: | 139.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD35221
Formula: C13H13O2N3
Smiles:
C#CCOc1cccc(OCc2cn(C)nn2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 243.27 | Num_heavy_atoms: | 18 |
| TPSA: | 49.17 | NumAromaticRings: | 2 |
