Glycoside
GD046526
Name:
NoneFormula:
C13H14O4N3ClSmiles:
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(Cl)ncnc21Aglycone:
Clc1ncnc2c1C=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 299.71 | Num_heavy_atoms: | 20 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD04809
Formula: C7H3N3Cl
Smiles:
Clc1ncnc2c1C=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.56 | Num_heavy_atoms: | 10 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
