Glycoside
GD002057
Name:
NoneFormula:
C22H26O5N3ClSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(N4CCCC4)nn3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc(N2CCCC2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.91 | Num_heavy_atoms: | 30 |
| TPSA: | 119.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD02001
Formula: C16H16N3Cl
Smiles:
Clc1ccccc1Cc1ccc(N2CCCC2)nn1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.77 | Num_heavy_atoms: | 19 |
| TPSA: | 29.02 | NumAromaticRings: | 2 |
