Glycoside
GD021660
Name:
NoneFormula:
C24H32O5NClSSmiles:
CCCCCCCc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCCCCCc1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 470.03 | Num_heavy_atoms: | 31 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD14767
Formula: C18H22NClS
Smiles:
CCCCCCCc1cnc(Cc2ccccc2Cl)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.47 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 307.89 | Num_heavy_atoms: | 20 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
