(2R,3R,4R,5S,6S)-2-{[(1R,3aS,3bR,5aS,7S,9R,9aR,9bS,10R,11aR)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl anthracene-9-carboxylate | C44H52O13 | C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](OC(=O)C2=C3C=CC=CC3=CC3=CC=CC=C23)[C@H]1O | 62026-02-2, ACM62026022 | Chemspace

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Home CSCS03496543146

Structure Info

Chemspace ID: CSCS03496543146 (Synthesis)

IUPAC Name: (2R,3R,4R,5S,6S)-2-{[(1R,3aS,3bR,5aS,7S,9R,9aR,9bS,10R,11aR)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl anthracene-9-carboxylate

Mol formula: C₄₄H₅₂O₁₃

Mol weight: 789 Da

Catalog Number(s): 62026-02-2, ACM62026022

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Properties
SDS

Properties

LogP: 1.69

Heavy atoms count: 57

Rotatable bond count: 7

Number of rings: 9

Carbon bond saturation, Fsp3: 0.59

Polar surface area (Å): 213

Hydrogen bond acceptors count: 11

Hydrogen bond donors count: 7

: Zoom the structure; CSCS03496543146

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Description: CAS: 62026-02-2
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Description: CAS: 62026-02-2

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