Hovenoside G

Properties Image MNX_ID MNXM126560 reference chebi:180856 formula C51H82O21 global charge 0 mol weight 1031.196 InChIKey QVKNFOCNXKZPMO-UHFFFAOYSA-N InChI InChI=1S/C51H82O21/c1-22(2)14-23-15-49(7,62)41-24-8-9-30-47(5)12-11-31(46(3,4)29(47)10-13-48(30,6)50(24)20-51(41,72-23)66-21-50)68-44-40(71-43-37(61)33(57)26(54)18-64-43)38(27(55)19-65-44)69-45-39(35(59)34(58)28(16-52)67-45)70-42-36(60)32(56)25(53)17-63-42/h14,23-45,52-62H,8-13,15-21H2,1-7H3 SMILES CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1 MNX internals InChI (mnx) InChI=1/C51H82O21/c1-22(2)14-23-15-49(7,62)41-24-8-9-30-47(5)12-11-31(46(3,4)29(47)10-13-48(30,6)50(24)20-51(41,72-23)66-21-50)68-44-40(71-43-37(61)33(57)26(54)18-64-43)38(27(55)19-65-44)69-45-39(35(59)34(58)28(16-52)67-45)70-42-36(60)32(56)25(53)17-63-42/h14,23-45,52-62H,8-13,15-21H2,1-7H3/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,47?,48?,49?,50?,51? SMILES (mnx) [CH3:1][C:22]([CH3:2])=[CH:14][CH:23]1[CH2:15][C:49]([CH3:7])([OH:62])[CH:41]2[CH:24]3[CH2:8][CH2:9][CH:30]4[C:47]5([CH3:5])[CH2:12][CH2:11][CH:31]([O:68][CH:44]6[CH:40]([O:71][CH:43]7[CH:37]([OH:61])[CH:33]([OH:57])[CH:26]([OH:54])[CH2:18][O:64]7)[CH:38]([O:69][CH:45]7[CH:39]([O:70][CH:42]8[CH:36]([OH:60])[CH:32]([OH:56])[CH:25]([OH:53])[CH2:17][O:63]8)[CH:35]([OH:59])[CH:34]([OH:58])[CH:28]([CH2:16][OH:52])[O:67]7)[CH:27]([OH:55])[CH2:19][O:65]6)[C:46]([CH3:3])([CH3:4])[CH:29]5[CH2:10][CH2:13][C:48]4([CH3:6])[C:50]34[CH2:20][C:51]2([O:66][CH2:21]4)[O:72]1

Parent-child relations graph

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