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Medicoside L

PropertiesImage
MNX_IDMNXM127747 Image of MNXM127747
referencehmdb:HMDB0039294
formulaC60H96O30
global charge0
mol weight1297.398
InChIKeyRXOLZUNGPCPEOV-UHFFFAOYSA-N
InChIInChI=1S/C60H96O30/c1-22-32(66)37(71)41(75)48(81-22)86-44-36(70)29(21-64)85-52(46(44)88-49-42(76)38(72)33(67)26(18-61)82-49)87-45-40(74)35(69)28(20-63)84-51(45)89-47-25(65)17-56(4)30-9-8-23-24-16-55(2,3)12-14-60(24,54(80)90-50-43(77)39(73)34(68)27(19-62)83-50)15-13-57(23,5)58(30,6)11-10-31(56)59(47,7)53(78)79/h8,22,24-52,61-77H,9-21H2,1-7H3,(H,78,79)
SMILESCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(O)CC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC56C)C4(C)C(=O)O)OC(CO)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C60H96O30/c1-22-32(66)37(71)41(75)48(81-22)86-44-36(70)29(21-64)85-52(46(44)88-49-42(76)38(72)33(67)26(18-61)82-49)87-45-40(74)35(69)28(20-63)84-51(45)89-47-25(65)17-56(4)30-9-8-23-24-16-55(2,3)12-14-60(24,54(80)90-50-43(77)39(73)34(68)27(19-62)83-50)15-13-57(23,5)58(30,6)11-10-31(56)59(47,7)53(78)79/h8,22,24-52,61-77H,9-21H2,1-7H3,(H,78,79)/t22?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,56?,57?,58?,59?,60? Image of MNXM127747
SMILES (mnx)[CH3:1][CH:22]1[CH:32]([OH:66])[CH:37]([OH:71])[CH:41]([OH:75])[CH:48]([O:86][CH:44]2[CH:36]([OH:70])[CH:29]([CH2:21][OH:64])[O:85][CH:52]([O:87][CH:45]3[CH:40]([OH:74])[CH:35]([OH:69])[CH:28]([CH2:20][OH:63])[O:84][CH:51]3[O:89][CH:47]3[CH:25]([OH:65])[CH2:17][C:56]4([CH3:4])[CH:30]5[CH2:9][CH:8]=[C:23]6[CH:24]7[CH2:16][C:55]([CH3:2])([CH3:3])[CH2:12][CH2:14][C:60]7([C:54](=[O:80])[O:90][CH:50]7[CH:43]([OH:77])[CH:39]([OH:73])[CH:34]([OH:68])[CH:27]([CH2:19][OH:62])[O:83]7)[CH2:15][CH2:13][C:57]6([CH3:5])[C:58]5([CH3:6])[CH2:11][CH2:10][CH:31]4[C:59]3([CH3:7])[C:53](=[O:78])[OH:79])[CH:46]2[O:88][CH:49]2[CH:42]([OH:76])[CH:38]([OH:72])[CH:33]([OH:67])[CH:26]([CH2:18][OH:61])[O:82]2)[O:81]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0039294
RXOLZUNGPCPEOV-UHFFFAOYSA-N 		Medicoside L
3-[(4,5-Dihydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylate
3-[(4,5-dihydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
3-[(4,5-dihydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

hmdb:HMDB39294 		secondary/obsolete/fantasy identifier