Glycoside
GD036606
Name:
NoneFormula:
C23H29O5N2ClSmiles:
CCCCCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nn1Aglycone:
CCCCCc1ccc(Cc2ccccc2Cl)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.94 | Num_heavy_atoms: | 30 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD23077
Formula: C17H19N2Cl
Smiles:
CCCCCc1ccc(Cc2ccccc2Cl)nn1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 274.79 | Num_heavy_atoms: | 19 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
