| Properties | Image |
|---|
| MNX_ID | MNXM168802 |
 |
| reference | sabiorkM:27947 |
| formula | C48H75NO38 |
| global charge | 0 |
| mol weight | 1274.097 |
| InChIKey | FSRMLWKBCQFLJA-YSRVSPIPSA-N |
| InChI | InChI=1S/C48H75NO38/c50-5-14-21(57)22(58)29(65)43(75-14)82-37-16(7-52)77-45(31(67)24(37)60)84-39-18(9-54)79-47(33(69)26(39)62)86-41-20(11-56)81-48(35(71)28(41)64)87-40-19(10-55)80-46(34(70)27(40)63)85-38-17(8-53)78-44(32(68)25(38)61)83-36-15(6-51)76-42(30(66)23(36)59)74-13-3-1-12(2-4-13)49(72)73/h1-4,14-48,50-71H,5-11H2/t14-,15+,16-,17+,18-,19+,20+,21+,22-,23-,24+,25-,26+,27-,28-,29?,30-,31?,32-,33?,34-,35-,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+/m0/s1 |
| SMILES | O=[N+]([O-])C1=CC=C(O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@@H](CO)[C@@H](O[C@H]7O[C@@H](CO)[C@@H](O[C@H]8O[C@@H](CO)[C@@H](O)[C@H](O)C8O)[C@H](O)C7O)[C@H](O)C6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C48H75NO38/c50-5-14-21(57)22(58)29(65)43(75-14)82-37-16(7-52)77-45(31(67)24(37)60)84-39-18(9-54)79-47(33(69)26(39)62)86-41-20(11-56)81-48(35(71)28(41)64)87-40-19(10-55)80-46(34(70)27(40)63)85-38-17(8-53)78-44(32(68)25(38)61)83-36-15(6-51)76-42(30(66)23(36)59)74-13-3-1-12(2-4-13)49(72)73/h1-4,14-48,50-71H,5-11H2/t14-,15+,16-,17+,18-,19+,20+,21+,22-,23-,24+,25-,26+,27-,28-,29?,30-,31?,32-,33?,34-,35-,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:13]([O:74][C@@H:42]2[C@@H:30]([OH:66])[C@H:23]([OH:59])[C@H:36]([O:83][C@@H:44]3[C@@H:32]([OH:68])[C@H:25]([OH:61])[C@H:38]([O:85][C@@H:46]4[C@@H:34]([OH:70])[C@H:27]([OH:63])[C@H:40]([O:87][C@@H:48]5[C@@H:35]([OH:71])[C@H:28]([OH:64])[C@H:41]([O:86][C@@H:47]6[CH:33]([OH:69])[C@@H:26]([OH:62])[C@H:39]([O:84][C@@H:45]7[CH:31]([OH:67])[C@@H:24]([OH:60])[C@H:37]([O:82][C@@H:43]8[CH:29]([OH:65])[C@@H:22]([OH:58])[C@H:21]([OH:57])[C@H:14]([CH2:5][OH:50])[O:75]8)[C@H:16]([CH2:7][OH:52])[O:77]7)[C@H:18]([CH2:9][OH:54])[O:79]6)[C@@H:20]([CH2:11][OH:56])[O:81]5)[C@@H:19]([CH2:10][OH:55])[O:80]4)[C@@H:17]([CH2:8][OH:53])[O:78]3)[C@@H:15]([CH2:6][OH:51])[O:76]2)=[CH:4][CH:2]=[C:12]1[N+:49]([O-:72])=[O:73] |
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