Glycoside
GD012950
Name:
NoneFormula:
C17H18O5N3ClSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nccnn3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nccnn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.79 | Num_heavy_atoms: | 25 |
| TPSA: | 128.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD09720
Formula: C11H8N3Cl
Smiles:
Clc1ccccc1Cc1nccnn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.65 | Num_heavy_atoms: | 14 |
| TPSA: | 38.67 | NumAromaticRings: | 2 |
