Glycoside
GD092918
Name:
NoneFormula:
C20H23O8N3Smiles:
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1Aglycone:
c1ccc(-n2nccn2)cc1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 433.42 | Num_heavy_atoms: | 31 |
| TPSA: | 135.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD05614
Formula: C8H7N3
Smiles:
c1ccc(-n2nccn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.17 | Num_heavy_atoms: | 11 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
