Glycoside
GD012306
Name:
Suncheonoside BFormula:
C20H30O7SSmiles:
COc1c(C)c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c(C(=O)SC)c(C(C)C)c1CAglycone:
COc1c(C)c(O)c(C(=O)SC)c(C(C)C)c1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.52 | Num_heavy_atoms: | 28 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD09297
Formula: C14H20O3S
Smiles:
COc1c(C)c(O)c(C(=O)SC)c(C(C)C)c1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.38 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
