Glycoside
GD083958
Name:
NoneFormula:
C20H23O5N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccc(O)cc5CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Oc1ccc2c(c1)CCN(c1ncnc3c1N=C[N]3)CC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 413.43 | Num_heavy_atoms: | 30 |
| TPSA: | 136.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD37447
Formula: C15H14ON5
Smiles:
Oc1ccc2c(c1)CCN(c1ncnc3c1N=C[N]3)CC2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 280.31 | Num_heavy_atoms: | 21 |
| TPSA: | 75.71 | NumAromaticRings: | 2 |
