Glycoside
GD037345
Name:
NoneFormula:
C20H20O5N3ClSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc4ncnn4c3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc2ncnn2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 405.84 | Num_heavy_atoms: | 28 |
| TPSA: | 120.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD23535
Formula: C14H10N3Cl
Smiles:
Clc1ccccc1Cc1ccc2ncnn2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 243.7 | Num_heavy_atoms: | 17 |
| TPSA: | 30.19 | NumAromaticRings: | 3 |
