Glycoside
GD003487
Name:
NoneFormula:
C17H17O6N3Smiles:
Cc1cc(=O)oc2cc(-c3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)nn3)ccc12Aglycone:
Cc1cc(=O)oc2cc(C3=C[N]N=N3)ccc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.34 | Num_heavy_atoms: | 26 |
| TPSA: | 130.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD03174
Formula: C12H8O2N3
Smiles:
Cc1cc(=O)oc2cc(C3=C[N]N=N3)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.22 | Num_heavy_atoms: | 17 |
| TPSA: | 69.03 | NumAromaticRings: | 2 |
