Glycoside
GD007180
Name:
NoneFormula:
C17H13O4N3Cl2Smiles:
OC[C@@H]1O[C@H](n2c3ccc(Cl)cc3c3c(Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc2c(c1)-c1c(Cl)ncnc1[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.19 | Num_heavy_atoms: | 24 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD05865
Formula: C12H4N3Cl2
Smiles:
Clc1ccc2c(c1)-c1c(Cl)ncnc1[N]2| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 237.07 | Num_heavy_atoms: | 15 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
