Glycoside
GD014321
Name:
NoneFormula:
C30H36O4N6Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCC(c4ccccc4)c4ccccc4)nc(NC4CCCC4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NC3CCCC3)nc2NCCC(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 544.66 | Num_heavy_atoms: | 40 |
| TPSA: | 137.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD10544
Formula: C25H27N6
Smiles:
C1=Nc2c(nc(NC3CCCC3)nc2NCCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 411.53 | Num_heavy_atoms: | 31 |
| TPSA: | 76.3 | NumAromaticRings: | 3 |
