Glycoside
GD036604
Name:
NoneFormula:
C20H24O6NClSSmiles:
CCCOc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCOc1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 429.92 | Num_heavy_atoms: | 28 |
| TPSA: | 112.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD23076
Formula: C14H14ONClS
Smiles:
CCCOc1cnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 267.78 | Num_heavy_atoms: | 17 |
| TPSA: | 22.12 | NumAromaticRings: | 2 |
