Description
Anemarrhenasaponin A2, a steroidal saponin extracted from Anemarrhena Rhizoma, is derived from the rhizome of Anemarrhena asphodeloides Bunge (Liliaceae). This compound, widely used in traditional Chinese medicine, is known for its anti-diabetic, anti-platelet aggregation, and diuretic activities.
IUPAC Name: (2R,3S,4R,5R,6S)-2-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(6S,16S)-15-hydroxy-5′,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2′-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI: InChI=1S/C39H64O14/c1-17-7-10-39(48-16-17)18(2)28-25(53-39)12-22-20-6-5-19-11-24(23(42)13-38(19,4)21(20)8-9-37(22,28)3)49-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)26(14-40)50-35/h17-36,40-47H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,24-,25?,26-,27-,28?,29-,30+,31+,32+,33-,34-,35+,36-,37?,38?,39-/m0/s1
InChIKey: ZGVRGXGXZKITGK-YLKXKUIGSA-N
SMILES: CC1CC[C@]2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC([C@H](C6)O[C@@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O[C@@H]8[C@H]([C@@H]([C@H]([C@@H](O8)CO)O)O)O)O)C)C)C)OC1
Synonyms: 117210-12-5; ANEMARRHENASAPONIN A2; (2R,3S,4R,5R,6S)-2-[(2S,3S,4R,5S,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(6S,7R,16S)-15-hydroxy-5′,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2′-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3S,4R,5R,6S)-2-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(6S,16S)-15-hydroxy-5′,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2′-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Botanical Source: