structure of Sophorabioside

Sophorabioside

CAS No.: 2945-88-2
M. Wt: 578.51900
M. Fa: C27H30O14
InChI Key: SNJVNAXLTOIYQN-XQCQZFFBSA-N
Appearance: Black powder

Names and Identifiers of Sophorabioside

CAS Number

2945-88-2

IUPAC Name

3-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one

InChI

InChI=1S/C27H30O14/c1-10-19(31)22(34)24(36)26(38-10)41-25-23(35)21(33)17(8-28)40-27(25)39-13-4-2-11(3-5-13)14-9-37-16-7-12(29)6-15(30)18(16)20(14)32/h2-7,9-10,17,19,21-31,33-36H,8H2,1H3/t10-,17+,19-,21+,22+,23-,24+,25+,26-,27+/m0/s1

InChIKey

SNJVNAXLTOIYQN-XQCQZFFBSA-N

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C4=COC5=CC(=CC(=C5C4=O)O)O)CO)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)C4=COC5=CC(=CC(=C5C4=O)O)O)CO)O)O)O)O)O

UNII

5099K4JI8K

Physical and chemical properties of Sophorabioside

Exact Mass

578.16400

Melting Point

248℃

Molecular Formula

C27H30O14

Molecular Weight

578.51900

PSA

228.97000

Specific rotation

D19 -73° (0.27 g in 10 ml pyridine)

Interaction Studies of Sophorabioside

Interaction studies of sophorabioside have focused on its pharmacokinetics and bioavailability. Research indicates that:

  • Sophorabioside can interact with metabolic enzymes, influencing its absorption and metabolism in the body.
  • Studies using animal models have shown that the compound exhibits favorable pharmacokinetic profiles, with effective absorption rates and distribution characteristics.

Biological Activity of Sophorabioside

Sophorabioside exhibits a range of biological activities that contribute to its therapeutic potential:

  • Antioxidant Properties: The compound has demonstrated significant antioxidant activity, which may help in reducing oxidative stress in cells.
  • Anti-inflammatory Effects: Studies suggest that sophorabioside can inhibit inflammatory pathways, making it a candidate for treating inflammatory diseases.
  • Anticancer Activity: Preliminary research indicates that sophorabioside may possess anticancer properties, although further studies are needed to elucidate its mechanisms of action.