(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}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 | C48H78O19 | MFCD34800836, MFCD12032305 | 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 | AA021YIJ, AG021YLB, AR021ZAB, ArZ-UP481729, CFN91789, E88784, FS-7387, HY-N8112, Y3318804, ZX-CY003505 | Chemspace

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Home CSSS06256040512

Structure Info

Chemspace ID: CSSS06256040512 (In-Stock Screening Compounds)

MFCD: MFCD34800836, MFCD12032305

IUPAC Name: (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}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: C₄₈H₇₈O₁₉

Mol weight: 959 Da

Catalog Number(s): AA021YIJ, AG021YLB, AR021ZAB, ArZ-UP481729, CFN91789, E88784, FS-7387, HY-N8112, Y3318804, ZX-CY003505

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INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: -0.52

Heavy atoms count: 67

Rotatable bond count: 10

Number of rings: 8

Carbon bond saturation, Fsp3: 0.937

Polar surface area (Å): 315

Hydrogen bond acceptors count: 18

Hydrogen bond donors count: 12

: Zoom the structure; CSSS06256040512

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