(2S,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate | C53H86O23 | MFCD13186871 | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O | 30064, 41944, 41944-0.1G, 41944-0.5G, AA00H0OJ, AG00H0RB, AH93935, AR00H1GB, CSC161189894, FP73965, HY-N0392, LN01345130, M19225, P689441, T3826, Y0163, Y1263278, ZXC198249 | Chemspace

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Home CSCS00161189894

Structure Info

Chemspace ID: CSCS00161189894 (Synthesis)

MFCD: MFCD13186871

IUPAC Name: (2S,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Mol formula: C₅₃H₈₆O₂₃

Mol weight: 1091 Da

Catalog Number(s): 30064, 41944, 41944-0.1G, 41944-0.5G, AA00H0OJ, AG00H0RB, AH93935, AR00H1GB, CSC161189894, FP73965, HY-N0392, LN01345130, M19225, P689441, T3826, Y0163, Y1263278, ZXC198249

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SMILES
INCHI
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Properties
SDS

Properties

LogP: -1.66

Heavy atoms count: 76

Rotatable bond count: 12

Number of rings: 9

Carbon bond saturation, Fsp3: 0.943

Polar surface area (Å): 374

Hydrogen bond acceptors count: 22

Hydrogen bond donors count: 14

: Zoom the structure; CSCS00161189894

Items Overall 8 items from 3 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
Angene US	10 days	United States To:	95	1 mg	23	Go to cart Enquire
Angene US	10 days	United States To:	95	5 mg	47	Go to cart Enquire
Angene US	10 days	United States To:	95	10 mg	67	Go to cart Enquire
Angene US	10 days	United States To:	95	25 mg	109	Go to cart Enquire
Angene US	10 days	United States To:	95	50 mg	156	Go to cart Enquire
Description: Polygalasaponin F; CAS: 882664-74-6
Astatech CN	40 days	China To:	95	100 mg	707	Go to cart Enquire
Astatech CN	40 days	China To:	95	500 mg	2,123	Go to cart Enquire
Description: POLYGALASAPONIN F; CAS: 882664-74-6
Molnova Chemicals	TBD	United States To:	98	5 mg	202	Go to cart Enquire
Description: Polygalasaponin F; CAS: 882664-74-6

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