1-hydroxy-3-methyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione | C27H30O14 | C[C@@H]1O[C@@H](OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C3C(=O)C4=C(O)C=C(C)C=C4C(=O)C3=C2)[C@H](O)[C@H](O)[C@H]1O | 21133-53-9, 275269, ArZ-UP479429, CFN70246, FS-6813, ZX-CY001205 | Chemspace

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Home CSSS02125553431

Structure Info

Chemspace ID: CSSS02125553431 (In-Stock Screening Compounds)

IUPAC Name: 1-hydroxy-3-methyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione

Mol formula: C₂₇H₃₀O₁₄

Mol weight: 579 Da

Catalog Number(s): 21133-53-9, 275269, ArZ-UP479429, CFN70246, FS-6813, ZX-CY001205

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INCHI
INCHI key
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Properties
SDS

Properties

LogP: -0.32

Heavy atoms count: 41

Rotatable bond count: 5

Number of rings: 5

Carbon bond saturation, Fsp3: 0.481

Polar surface area (Å): 233

Hydrogen bond acceptors count: 14

Hydrogen bond donors count: 8

: Zoom the structure; CSSS02125553431

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