Search MNXref
 Feedback

Capsianoside G

PropertiesImage
MNX_IDMNXM120161 Image of MNXM120161
referencehmdb:HMDB0039342
formulaC70H114O28
global charge0
mol weight1403.654
InChIKeyZFVCQAZTCYDXDU-CLLGTIJNSA-N
InChIInChI=1S/C70H114O28/c1-13-69(11,97-66-58(84)53(79)50(76)45(32-71)92-66)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)61(49(75)43(10)90-64)96-65-57(83)55(81)52(78)47(94-65)35-89-68-62(56(82)48(74)42(9)91-68)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-67-59(85)54(80)51(77)46(33-72)93-67/h13-14,20,24-27,31,42-62,64-68,71-86H,1-2,15-19,21-23,28-30,32-35H2,3-12H3/b36-20+,37-26+,38-27+,39-24+,40-25-,41-31+
SMILESC=CC(C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)COC1OC(C)C(O)C(OC2OC(COC3OC(C)C(O)C(O)C3OC(=O)/C(C)=C/C(O)C/C(C)=C/CC/C(C)=C/CCC(C)(C=C)OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1O)OC1OC(CO)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C70H114O28/c1-13-69(11,97-66-58(84)53(79)50(76)45(32-71)92-66)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)61(49(75)43(10)90-64)96-65-57(83)55(81)52(78)47(94-65)35-89-68-62(56(82)48(74)42(9)91-68)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-67-59(85)54(80)51(77)46(33-72)93-67/h13-14,20,24-27,31,42-62,64-68,71-86H,1-2,15-19,21-23,28-30,32-35H2,3-12H3/b36-20+,37-26+,38-27+,39-24+,40-25-,41-31+/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,64?,65?,66?,67?,68?,69?,70? Image of MNXM120161
SMILES (mnx)[CH2:1]=[CH:13][C:69]([CH3:11])([CH2:28][CH2:18]/[CH:26]=[C:37](\[CH3:4])[CH2:21][CH2:15]/[CH:20]=[C:36](\[CH3:3])[CH2:23][CH2:17]/[CH:25]=[C:40](/[CH3:7])[CH2:34][O:88][CH:64]1[CH:60]([OH:86])[CH:61]([O:96][CH:65]2[CH:57]([OH:83])[CH:55]([OH:81])[CH:52]([OH:78])[CH:47]([CH2:35][O:89][CH:68]3[CH:62]([O:95][C:63](/[C:41]([CH3:8])=[CH:31]/[CH:44]([CH2:30]/[C:39]([CH3:6])=[CH:24]/[CH2:16][CH2:22]/[C:38]([CH3:5])=[CH:27]/[CH2:19][CH2:29][C:70]([CH3:12])([CH:14]=[CH2:2])[O:98][CH:67]4[CH:59]([OH:85])[CH:54]([OH:80])[CH:51]([OH:77])[CH:46]([CH2:33][OH:72])[O:93]4)[OH:73])=[O:87])[CH:56]([OH:82])[CH:48]([OH:74])[CH:42]([CH3:9])[O:91]3)[O:94]2)[CH:49]([OH:75])[CH:43]([CH3:10])[O:90]1)[O:97][CH:66]1[CH:58]([OH:84])[CH:53]([OH:79])[CH:50]([OH:76])[CH:45]([CH2:32][OH:71])[O:92]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:HMDB0039342
ZFVCQAZTCYDXDU-CLLGTIJNSA-N 		Capsianoside G
2-({6-[(3,5-dihydroxy-2-methyl-6-{[(2Z,6E,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-6-methyloxan-3-yl (2E,6E,10E)-4-hydroxy-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate
2-({6-[(3,5-dihydroxy-2-methyl-6-{[(6E,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-6-methyloxan-3-yl (2E,6E,10E)-4-hydroxy-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoic acid
Capsianside g

hmdb:HMDB39342 		secondary/obsolete/fantasy identifier