Glycoside
GD025885
Name:
NoneFormula:
C25H25O4N2ClSmiles:
CC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ncc(-c4ccccc4)cn3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ncc(-c2ccccc2)cn1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.93 | Num_heavy_atoms: | 31 |
| TPSA: | 95.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD17112
Formula: C18H13N2Cl
Smiles:
Clc1ccccc1Cc1ncc(-c2ccccc2)cn1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.76 | Num_heavy_atoms: | 20 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
