(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-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 | C53H86O22 | MFCD22572710 | C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O | 34202, 44243, 44243-0.05G, 44243-0.25G, ArZ-UP480493, CD11061210, CFN90184, CSC159262904, FH73953, M19084, S9011, T3790, U106043, Y1265724, ZX-CY002269, ZXC200455 | Chemspace

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Home CSCS00159262904

Structure Info

Chemspace ID: CSCS00159262904 (Synthesis)

MFCD: MFCD22572710

IUPAC Name: (2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-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: C₅₃H₈₆O₂₂

Mol weight: 1075 Da

Catalog Number(s): 34202, 44243, 44243-0.05G, 44243-0.25G, ArZ-UP480493, CD11061210, CFN90184, CSC159262904, FH73953, M19084, S9011, T3790, U106043, Y1265724, ZX-CY002269, ZXC200455

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SMILES
INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: -0.59

Heavy atoms count: 75

Rotatable bond count: 12

Number of rings: 9

Carbon bond saturation, Fsp3: 0.943

Polar surface area (Å): 354

Hydrogen bond acceptors count: 21

Hydrogen bond donors count: 13

: Zoom the structure; CSCS00159262904

Items Overall 7 items from 3 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
Selleck Chemicals GmbH	10 days	Germany To:	97	1 mg	107	Go to cart Enquire
Description: CAS: 760961-03-3
Molnova Chemicals	TBD	United States To:	98	5 mg	89	Go to cart Enquire
Molnova Chemicals	TBD	United States To:	98	10 mg	127	Go to cart Enquire
Molnova Chemicals	TBD	United States To:	98	25 mg	213	Go to cart Enquire
Molnova Chemicals	TBD	United States To:	98	50 mg	315	Go to cart Enquire
Molnova Chemicals	TBD	United States To:	98	100 mg	464	Go to cart Enquire
Description: Hederacoside D; CAS: 760961-03-3
Crysdot LLC	TBD	United States To:	95	1 g	POA	Go to cart Enquire
Description: CAS: 760961-03-3

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