Glycoside
GD100987
Name:
NoneFormula:
C23H28O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCC[C@@H](Oc5ccc(C6CC6)cn5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCCC(Oc3ccc(C4CC4)cn3)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.51 | Num_heavy_atoms: | 34 |
| TPSA: | 138.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD42685
Formula: C18H19ON6
Smiles:
C1=Nc2c(ncnc2N2CCCC(Oc3ccc(C4CC4)cn3)C2)[N]1| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.39 | Num_heavy_atoms: | 25 |
| TPSA: | 77.6 | NumAromaticRings: | 2 |
