Glycoside
GD100989
Name:
NoneFormula:
C22H26O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[C@H](Oc5ccc(C6CC6)cn5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC(Oc3ccc(C4CC4)cn3)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.49 | Num_heavy_atoms: | 33 |
| TPSA: | 138.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD42684
Formula: C17H17ON6
Smiles:
C1=Nc2c(ncnc2N2CCC(Oc3ccc(C4CC4)cn3)C2)[N]1| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 321.36 | Num_heavy_atoms: | 24 |
| TPSA: | 77.6 | NumAromaticRings: | 2 |
