Glycoside
GD037387
Name:
NoneFormula:
C13H16O5N4Smiles:
CC(=O)[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnn2cccc12Sugarmoiety:
CC(=O)C1(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 143.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD05072
Formula: C6H6N4
Smiles:
Nc1ncnn2cccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.14 | Num_heavy_atoms: | 10 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
