Glycoside
GD090829
Name:
NoneFormula:
C20H21O6N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCC5(C4)Oc4ccccc4O5)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC3(C2)Oc2ccccc2O3)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 427.42 | Num_heavy_atoms: | 31 |
| TPSA: | 135.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD39542
Formula: C15H12O2N5
Smiles:
C1=Nc2c(ncnc2N2CCC3(C2)Oc2ccccc2O3)[N]1| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 294.29 | Num_heavy_atoms: | 22 |
| TPSA: | 73.94 | NumAromaticRings: | 2 |
