Glycoside
GD023430
Name:
NoneFormula:
C19H17O5N3Smiles:
OC[C@@H]1O[C@H](n2c3ccccc3c3c(-c4ccco4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1coc(-c2ncnc3c2-c2ccccc2[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 367.36 | Num_heavy_atoms: | 27 |
| TPSA: | 113.77 | NumAromaticRings: | 4 |
Unique Aglycone
AD15758
Formula: C14H8ON3
Smiles:
c1coc(-c2ncnc3c2-c2ccccc2[N]3)c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.24 | Num_heavy_atoms: | 18 |
| TPSA: | 53.02 | NumAromaticRings: | 3 |
