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(3R,4aR,12bS)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione

(3R,4aR,12bS)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione structure

CAS No:
26055-63-0
Formula:
C25H26O10
Chemical Name:
(3R,4aR,12bS)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
Synonyms:
Benz[a]anthracene-1,7,12(2H)-trione,9-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-,(3R,4aR,12bS)-;Benz[a]anthracene-1,7,12(2H)-trione,9-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-,[3R-(3α,4aα,12bα)]-;Benz[a]anthracene-1,7,12(2H)-trione,3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-9-(tetrahydro-4,5-dihydroxy-6-methyl-2H-pyran-2-yl)-;(3R,4aR,12bS)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione;Aquayamycin;Urdamycinone A;NSC 184398;12642-21-6;26055-83-4

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Description

Aquayamycin is an angucycline.

(3R,4aR,12bS)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione Basic Attributes

Molecular Weight：

486.47

Exact Mass：

486.47

Characteristics

PSA：

182

XLogP3：

-1.2

Density：

1.65±0.1 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

aquayamycin

Computed Properties

Molecular Weight:486.5
XLogP3:-1.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:1
Exact Mass:486.15259702
Monoisotopic Mass:486.15259702
Topological Polar Surface Area:182
Heavy Atom Count:35
Complexity:1050
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,4aR,12bS)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

(3R,4aR,12bS)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione

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