Glycoside
GD029543
Name:
NoneFormula:
C19H20O6N4Smiles:
NC(=O)[C@@]1(n2cc(-c3ccc4ccccc4c3)nn2)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C1=C(c2ccc3ccccc3c2)N=N[N]1Sugarmoiety:
NC(=O)C1(O)OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.39 | Num_heavy_atoms: | 29 |
| TPSA: | 163.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD14261
Formula: C12H8N3
Smiles:
C1=C(c2ccc3ccccc3c2)N=N[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.22 | Num_heavy_atoms: | 15 |
| TPSA: | 38.82 | NumAromaticRings: | 2 |
