Glycoside
GD006280
Name:
NoneFormula:
C29H33O6N3Smiles:
OCCCCOc1cc(CNc2nc3ccccc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccc1-c1ccccc1Aglycone:
OCCCCOc1cc(CNC2=Nc3ccccc3[N]2)ccc1-c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 519.6 | Num_heavy_atoms: | 38 |
| TPSA: | 129.23 | NumAromaticRings: | 4 |
Unique Aglycone
AD05208
Formula: C24H24O2N3
Smiles:
OCCCCOc1cc(CNC2=Nc3ccccc3[N]2)ccc1-c1ccccc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 386.48 | Num_heavy_atoms: | 29 |
| TPSA: | 67.95 | NumAromaticRings: | 3 |
