(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (8aR,9R,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 | C54H88O24 | CC1(C)CCC2(CCC3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CCC34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 340982-22-1, 465027, BBC340982221, CSC016990201, D659309, LN00199062 | Chemspace

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Home CSCS00016990201

Structure Info

Chemspace ID: CSCS00016990201 (Synthesis)

IUPAC Name: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (8aR,9R,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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: C₅₄H₈₈O₂₄

Mol weight: 1121 Da

Catalog Number(s): 340982-22-1, 465027, BBC340982221, CSC016990201, D659309, LN00199062

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INCHI
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Properties
SDS

Properties

LogP: -2.27

Heavy atoms count: 78

Rotatable bond count: 14

Number of rings: 9

Carbon bond saturation, Fsp3: 0.944

Polar surface area (Å): 394

Hydrogen bond acceptors count: 23

Hydrogen bond donors count: 15

: Zoom the structure; CSCS00016990201

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