Glycoside
GD028172
Name:
NoneFormula:
C18H18O4N2Smiles:
O[C@@H]1[C@@H](c2nc(-c3ccc4ccccc4c3)c[nH]2)OC[C@@H](O)[C@H]1OAglycone:
c1ccc2cc(-c3c[nH]cn3)ccc2c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.35 | Num_heavy_atoms: | 24 |
| TPSA: | 98.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD18443
Formula: C13H10N2
Smiles:
c1ccc2cc(-c3c[nH]cn3)ccc2c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.24 | Num_heavy_atoms: | 15 |
| TPSA: | 28.68 | NumAromaticRings: | 3 |
