Araloside B

Properties Image MNX_ID MNXM119288 reference hmdb:HMDB0034536 formula C52H82O22 global charge 0 mol weight 1059.206 InChIKey GNGCEHDGLXJQOH-UHFFFAOYSA-N InChI InChI=1S/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)30(56)24(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-37(63)38(71-42-34(60)31(57)25(20-54)67-42)39(40(73-45)41(64)65)72-43-35(61)32(58)26(21-55)68-43/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65) SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(OC7OC(CO)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 MNX internals InChI (mnx) InChI=1/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)30(56)24(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-37(63)38(71-42-34(60)31(57)25(20-54)67-42)39(40(73-45)41(64)65)72-43-35(61)32(58)26(21-55)68-43/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65)/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?,45?,49?,50?,51?,52? SMILES (mnx) [CH3:1][C:47]1([CH3:2])[CH2:14][CH2:16][C:52]2([C:46](=[O:66])[O:74][CH:44]3[CH:36]([OH:62])[CH:33]([OH:59])[CH:30]([OH:56])[CH:24]([CH2:19][OH:53])[O:69]3)[CH2:17][CH2:15][C:50]3([CH3:6])[C:22](=[CH:8][CH2:9][CH:28]4[C:49]5([CH3:5])[CH2:12][CH2:11][CH:29]([O:70][CH:45]6[CH:37]([OH:63])[CH:38]([O:71][CH:42]7[CH:34]([OH:60])[CH:31]([OH:57])[CH:25]([CH2:20][OH:54])[O:67]7)[CH:39]([O:72][CH:43]7[CH:35]([OH:61])[CH:32]([OH:58])[CH:26]([CH2:21][OH:55])[O:68]7)[CH:40]([C:41](=[O:64])[OH:65])[O:73]6)[C:48]([CH3:3])([CH3:4])[CH:27]5[CH2:10][CH2:13][C:51]43[CH3:7])[CH:23]2[CH2:18]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0