Glycoside
GD085767
Name:
NoneFormula:
C20H23O5N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NC[C@@H]4OCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC2OCCc3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 413.43 | Num_heavy_atoms: | 30 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD38191
Formula: C15H14ON5
Smiles:
C1=Nc2c(ncnc2NCC2OCCc3ccccc32)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.31 | Num_heavy_atoms: | 21 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
