Glycoside
GD016730
Name:
NoneFormula:
C13H13O4N3ClISmiles:
COC[C@@H]1O[C@H](n2cc(I)c3c(Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ncnc2c1C(I)=C[N]2Sugarmoiety:
COCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 425.61 | Num_heavy_atoms: | 21 |
| TPSA: | 89.63 | 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 |
