| Properties | Image |
|---|
| MNX_ID | MNXM108111 |
 |
| reference | chebi:70451 |
| formula | C63H102O32 |
| global charge | 0 |
| mol weight | 1371.477 |
| InChIKey | XSAOFMYGGAPKOT-MATWVVGWSA-N |
| InChI | InChI=1S/C63H102O32/c1-24-45(91-51-44(80)46(29(69)19-84-51)92-55-48(81)62(83,22-66)23-87-55)40(76)43(79)52(88-24)93-47-35(71)28(68)18-85-54(47)95-56(82)63-13-12-57(2,3)14-26(63)25-8-9-33-58(4)15-27(67)49(59(5,21-65)32(58)10-11-60(33,6)61(25,7)16-34(63)70)94-53-42(78)39(75)37(73)31(90-53)20-86-50-41(77)38(74)36(72)30(17-64)89-50/h8,24,26-55,64-81,83H,9-23H2,1-7H3/t24-,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-,53-,54-,55-,58-,59-,60+,61+,62+,63+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C63H102O32/c1-24-45(91-51-44(80)46(29(69)19-84-51)92-55-48(81)62(83,22-66)23-87-55)40(76)43(79)52(88-24)93-47-35(71)28(68)18-85-54(47)95-56(82)63-13-12-57(2,3)14-26(63)25-8-9-33-58(4)15-27(67)49(59(5,21-65)32(58)10-11-60(33,6)61(25,7)16-34(63)70)94-53-42(78)39(75)37(73)31(90-53)20-86-50-41(77)38(74)36(72)30(17-64)89-50/h8,24,26-55,64-81,83H,9-23H2,1-7H3/t24-,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-,53-,54-,55-,58-,59-,60+,61+,62+,63+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:24]1[C@H:45]([O:91][C@H:51]2[C@H:44]([OH:80])[C@@H:46]([O:92][C@H:55]3[C@H:48]([OH:81])[C@:62]([CH2:22][OH:66])([OH:83])[CH2:23][O:87]3)[C@H:29]([OH:69])[CH2:19][O:84]2)[C@@H:40]([OH:76])[C@@H:43]([OH:79])[C@H:52]([O:93][C@@H:47]2[C@@H:35]([OH:71])[C@@H:28]([OH:68])[CH2:18][O:85][C@H:54]2[O:95][C:56]([C@:63]23[CH2:13][CH2:12][C:57]([CH3:2])([CH3:3])[CH2:14][C@H:26]2[C:25]2=[CH:8][CH2:9][C@@H:33]4[C@@:58]5([CH3:4])[CH2:15][C@H:27]([OH:67])[C@H:49]([O:94][C@H:53]6[C@H:42]([OH:78])[C@@H:39]([OH:75])[C@H:37]([OH:73])[C@@H:31]([CH2:20][O:86][C@H:50]7[C@H:41]([OH:77])[C@@H:38]([OH:74])[C@H:36]([OH:72])[C@@H:30]([CH2:17][OH:64])[O:89]7)[O:90]6)[C@@:59]([CH3:5])([CH2:21][OH:65])[C@@H:32]5[CH2:10][CH2:11][C@@:60]4([CH3:6])[C@:61]2([CH3:7])[CH2:16][C@H:34]3[OH:70])=[O:82])[O:88]1 |
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