Glycoside
GD027483
Name:
NoneFormula:
C17H18O6N4Smiles:
COc1ccc(-c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(C2=Nc3c(nc[nH]c3=O)[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 142.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD18061
Formula: C12H9O2N4
Smiles:
COc1ccc(C2=Nc3c(nc[nH]c3=O)[N]2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.44 | NumAromaticRings: | 2 |
