Glycoside
GD085581
Name:
NoneFormula:
C12H11O4N3ClISmiles:
OC[C@@H]1O[C@H](n2cc(I)c3c(Cl)ncnc32)[C@H](O)[C@@H]1OAglycone:
Clc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 411.58 | Num_heavy_atoms: | 20 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD06604
Formula: C7H2N3ClI
Smiles:
Clc1ncnc2c1C(I)=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 278.46 | Num_heavy_atoms: | 11 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
