Glycoside
GD076506
Name:
NoneFormula:
C17H17O7N3Smiles:
N#Cc1cccc(-c2cc(C(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)no2)c1Aglycone:
N#Cc1cccc(-c2cc(C(N)=O)no2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 375.34 | Num_heavy_atoms: | 27 |
| TPSA: | 169.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD35269
Formula: C11H7O2N3
Smiles:
N#Cc1cccc(-c2cc(C(N)=O)no2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 213.2 | Num_heavy_atoms: | 16 |
| TPSA: | 92.91 | NumAromaticRings: | 2 |
