Glycoside
GD085921
Name:
NoneFormula:
C20H22O8N2Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)c1cnc2ccccc2n1Aglycone:
c1ccc2nccnc2c1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 130.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD25260
Formula: C8H6N2
Smiles:
c1ccc2nccnc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.15 | Num_heavy_atoms: | 10 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
