Glycoside
GD079532
Name:
NoneFormula:
C18H27O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NC[C@@H]4C[N@H+]5CCC[C@@H]5CO4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC2C[NH+]3CCCC3CO2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.45 | Num_heavy_atoms: | 29 |
| TPSA: | 139.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD36358
Formula: C13H18ON6
Smiles:
C1=Nc2c(ncnc2NCC2C[NH+]3CCCC3CO2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.33 | Num_heavy_atoms: | 20 |
| TPSA: | 77.94 | NumAromaticRings: | 1 |
