Glycoside
GD091939
Name:
NoneFormula:
C21H25O6N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCO[C@H](COc5ccccc5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCOC(COc3ccccc3)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.46 | Num_heavy_atoms: | 32 |
| TPSA: | 135.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD40117
Formula: C16H16O2N5
Smiles:
C1=Nc2c(ncnc2N2CCOC(COc3ccccc3)C2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.34 | Num_heavy_atoms: | 23 |
| TPSA: | 73.94 | NumAromaticRings: | 2 |
