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Drug Details

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Name:Acocantherin
PubChem ID:12420
Pathway:Show KEGG pathways
InChI:InChI=1/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17?,18+,19+,21?,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
SMILES:C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]1(C[C@H]([C@]2(CO)C3C(CC[C@]2(C1)O)[C@]1(CC[C@H](C2=CC(=O)OC2)[C@]1(C)C[C@H]3O)O)O))O)O)O

Properties:
Formula:C29H44O12Atoms:52
Molecular Weight:584.652Rotatable Bonds:4
H-bond Acceptors:12H-bond Donors:0
logP:-1.515
Targets:
Synonyms:
3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11alpha,14,19-pentahydroxycard-20(22)-enolide
3-(6-Deoxy-alpha-L-mannopyranosyloxy)-1,5,11a,14,19-pentahydroxycard-20(22
3-(6-Deoxy-alpha-L-mannopyranosyloxy)-1,5,11a,14,19-pentahydroxycard-20(22)-enolide
36-06-6
5-18-05-00625 (Beilstein Handbook Reference)
630-60-4
AC1L1ZK6
Acocantherin
Astrobain
BRN 0101712
BSPBio_002774
Card-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,11alpha)-
CCRIS 965
DivK1c_000905
EINECS 211-139-3
G-Strophanthin
G-Strophicor
Gratibain
Gratus strophanthin
HMS502N07
HSDB 3519
IDI1_000905
KBio1_000905
KBio3_001994
KBioGR_002272
Kombetin
NCGC00178479-01
NINDS_000905
NSC 25485
Ouabagenin L-rhamnoside
Ouabagenin-L-rhamnosid
Ouabagenin-L-rhamnosid [German]
OUABAIN
Ouabain anhydrous
Ouabaine
Oubain
Purostrophan
Quabain
Rectobaina
SDCCGMLS-0066608.P001
Solufantina
SPBio_001128
SPECTRUM1500676
Spectrum2_001084
Spectrum3_001097
Spectrum4_001926
Spectrum5_000849
Strodival
Strophalen
Strophoperm
Strophosan
Uabaina
Uabanin
ATC-Codes: