Glycoside
GD032844
Name:
NoneFormula:
C24H26O8NClSSmiles:
COCCOc1cc(Cl)c(Cc2ncc(-c3ccco3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COCCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 511.98 | Num_heavy_atoms: | 34 |
| TPSA: | 134.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD21014
Formula: C18H16O3NClS
Smiles:
COCCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 349.84 | Num_heavy_atoms: | 23 |
| TPSA: | 44.49 | NumAromaticRings: | 3 |
