Glycoside
GD025623
Name:
NoneFormula:
C36H36O4N6Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCc4cccc5ccccc45)nc(NCCC(c4ccccc4)c4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NCCC(c3ccccc3)c3ccccc3)nc2NCc2cccc3ccccc23)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 616.72 | Num_heavy_atoms: | 46 |
| TPSA: | 137.58 | NumAromaticRings: | 6 |
Unique Aglycone
AD16967
Formula: C31H27N6
Smiles:
C1=Nc2c(nc(NCCC(c3ccccc3)c3ccccc3)nc2NCc2cccc3ccccc23)[N]1| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 6.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 483.6 | Num_heavy_atoms: | 37 |
| TPSA: | 76.3 | NumAromaticRings: | 5 |
