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Araloside G

PropertiesImage
MNX_IDMNXM119290 Image of MNXM119290
referencehmdb:HMDB0040850
formulaC54H88O23
global charge0
mol weight1105.275
InChIKeyMUJBUNJXXCRGGT-UHFFFAOYSA-N
InChIInChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-40(67)37(64)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-41(68)43(76-45-39(66)36(63)33(60)26(20-56)71-45)42(28(22-58)73-47)75-44-38(65)35(62)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3
SMILESCC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C54H88O23/c1-49(2)14-16-54(48(69)77-46-40(67)37(64)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-41(68)43(76-45-39(66)36(63)33(60)26(20-56)71-45)42(28(22-58)73-47)75-44-38(65)35(62)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,51?,52?,53?,54? Image of MNXM119290
SMILES (mnx)[CH3:1][C:49]1([CH3:2])[CH2:14][CH2:16][C:54]2([C:48](=[O:69])[O:77][CH:46]3[CH:40]([OH:67])[CH:37]([OH:64])[CH:34]([OH:61])[CH:27]([CH2:21][OH:57])[O:72]3)[CH2:17][CH2:15][C:52]3([CH3:6])[C:23](=[CH:8][CH2:9][CH:30]4[C:51]5([CH3:5])[CH2:12][CH2:11][CH:31]([O:74][CH:47]6[CH:41]([OH:68])[CH:43]([O:76][CH:45]7[CH:39]([OH:66])[CH:36]([OH:63])[CH:33]([OH:60])[CH:26]([CH2:20][OH:56])[O:71]7)[CH:42]([O:75][CH:44]7[CH:38]([OH:65])[CH:35]([OH:62])[CH:32]([OH:59])[CH:25]([CH2:19][OH:55])[O:70]7)[CH:28]([CH2:22][OH:58])[O:73]6)[C:50]([CH3:3])([CH3:4])[CH:29]5[CH2:10][CH2:13][C:53]43[CH3:7])[CH:24]2[CH2:18]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:HMDB0040850
MUJBUNJXXCRGGT-UHFFFAOYSA-N 		Araloside G
3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

hmdb:HMDB40850 		secondary/obsolete/fantasy identifier