(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-2,6-dimethyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aS,12bR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a,12b,14b-octamethyl-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 | C56H92O22 | MFCD22572710 | C[C@@H]1O[C@@](C)(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@]4(C)C4=CC[C@]6(C)[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 | AA00A52S, AE73040, AG00A55K, AR00A5UK, CSC161190160, HY-N6878, M23439, T10689, Y3162892, ZXC345141 | Chemspace

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Home CSCS00161190160

Structure Info

Chemspace ID: CSCS00161190160 (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-2,6-dimethyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aS,12bR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a,12b,14b-octamethyl-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: C₅₆H₉₂O₂₂

Mol weight: 1117 Da

Catalog Number(s): AA00A52S, AE73040, AG00A55K, AR00A5UK, CSC161190160, HY-N6878, M23439, T10689, Y3162892, ZXC345141

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SMILES
INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 0.26

Heavy atoms count: 78

Rotatable bond count: 12

Number of rings: 9

Carbon bond saturation, Fsp3: 0.946

Polar surface area (Å): 354

Hydrogen bond acceptors count: 21

Hydrogen bond donors count: 13

: Zoom the structure; CSCS00161190160

Items Overall 6 items from 3 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, €	Qty
Angene US	10 days	United States To:	95	1 mg	135	Go to cart Enquire
Angene US	10 days	United States To:	95	20 mg	335	Go to cart Enquire
Description: Cauloside D; CAS: 12672-45-6
Molnova Chemicals	TBD	United States To:	98	5 mg	200	Go to cart Enquire
Molnova Chemicals	TBD	United States To:	98	10 mg	299	Go to cart Enquire
Molnova Chemicals	TBD	United States To:	98	25 mg	539	Go to cart Enquire
Description: Cauloside D; CAS: 12672-45-6
Zerenex Molecular Ltd	TBD	United Kingdom To:	95	1 g	POA	Go to cart Enquire
Description: CAS: 12672-45-6

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