(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate | C52H84O21 | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O | AA02AJIL, AG02AJLD, AR02AKAD, HY-N12017, T83345, Y3314957 | Chemspace

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Home CSCS14929136740

Structure Info

Chemspace ID: CSCS14929136740 (Synthesis)

IUPAC Name: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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: C₅₂H₈₄O₂₁

Mol weight: 1045 Da

Catalog Number(s): AA02AJIL, AG02AJLD, AR02AKAD, HY-N12017, T83345, Y3314957

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INCHI
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Properties
SDS

Properties

LogP: 0.04

Heavy atoms count: 73

Rotatable bond count: 11

Number of rings: 9

Carbon bond saturation, Fsp3: 0.942

Polar surface area (Å): 334

Hydrogen bond acceptors count: 20

Hydrogen bond donors count: 12

: Zoom the structure; CSCS14929136740

Items Overall 7 items from 4 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
Angene US	10 days	United States To:	98	5 mg	793	Go to cart Enquire
Angene US	10 days	United States To:	98	10 mg	1,425	Go to cart Enquire
Angene US	10 days	United States To:	98	20 mg	2,531	Go to cart Enquire
Angene US	10 days	United States To:	98	50 mg	5,058	Go to cart Enquire
Description: 3-O-α-L-Rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl hederagenin28-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl ester; CAS: 128717-92-0
MedChemExpress	TBD	United States To:	90	1 mg	POA	Go to cart Enquire
Description: Names: 3-O-α-L-Rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl hederagenin28-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl ester; Product Description: 3-O-α-L-Rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl hederagenin28-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl ester is a hederagenin-type saponin with antitumor and anti-inflammatory properties .; CAS: 128717-92-0
MedChemExpress EU	TBD	Sweden To:	90	1 mg	POA	Go to cart Enquire
Description: Names: 3-O-α-L-Rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl hederagenin28-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl ester; Product Description: 3-O-α-L-Rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl hederagenin28-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl ester is a hederagenin-type saponin with antitumor and anti-inflammatory properties; CAS: 128717-92-0
Targetmol Chemicals Inc	TBD	United States To:	90	1 mg	POA	Go to cart Enquire
Description: Hederagenin 28-O-{β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl ester}3-O-{α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl} is a saponin known for its antitumor and anti-inflammatory properties [1].; CAS: 128717-92-0

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