Glycoside
GD076372
Name:
NoneFormula:
C18H21O6N3Smiles:
C#Cc1cccc(-c2cn(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
C#Cc1cccc(-c2cn(CCO)nn2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 375.38 | Num_heavy_atoms: | 27 |
| TPSA: | 130.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD35232
Formula: C12H11ON3
Smiles:
C#Cc1cccc(-c2cn(CCO)nn2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.24 | Num_heavy_atoms: | 16 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
