Glycoside
GD076945
Name:
NoneFormula:
C17H18O4N7Smiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc5[nH]cc[n+]5c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2ccc3[nH]cc[n+]3c2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 145.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD35329
Formula: C12H9N7
Smiles:
C1=Nc2c(ncnc2Nc2ccc3[nH]cc[n+]3c2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.25 | Num_heavy_atoms: | 19 |
| TPSA: | 84.16 | NumAromaticRings: | 3 |
