Glycoside
GD017014
Name:
NoneFormula:
C23H24O8NClSSmiles:
OCCOc1cc(Cl)c(Cc2ncc(-c3ccco3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 497.95 | Num_heavy_atoms: | 33 |
| TPSA: | 145.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD12189
Formula: C17H14O3NClS
Smiles:
OCCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 335.81 | Num_heavy_atoms: | 22 |
| TPSA: | 55.49 | NumAromaticRings: | 3 |
