Glycoside
GD110939
Name:
NoneFormula:
C32H23O8N4F2ClSmiles:
O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1Aglycone:
O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 652.99 | Num_heavy_atoms: | 46 |
| TPSA: | 183.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD44683
Formula: C26H15O2N4F2Cl
Smiles:
O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.04 |
| AlogP: | 5.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.87 | Num_heavy_atoms: | 34 |
| TPSA: | 87.47 | NumAromaticRings: | 4 |
