| Properties | Image |
|---|
| MNX_ID | MNXM1065499 |
 |
| reference | slm:000758163 |
| formula | C62H115NO23 |
| global charge | 0 |
| mol weight | 1242.586 |
| InChIKey | ARANVMPQDIIVCP-HCFVNOJASA-N |
| InChI | InChI=1S/C62H115NO23/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-45(68)63-40(47(70)41(67)33-31-29-27-25-23-17-15-13-11-9-7-5-2)38-79-59-55(78)52(75)56(44(37-66)83-59)84-62-58(86-60-53(76)50(73)46(69)39(3)80-60)57(49(72)43(36-65)82-62)85-61-54(77)51(74)48(71)42(35-64)81-61/h18-19,39-44,46-62,64-67,69-78H,4-17,20-38H2,1-3H3,(H,63,68)/b19-18-/t39-,40-,41+,42+,43+,44+,46+,47-,48-,49-,50+,51-,52+,53-,54+,55+,56+,57-,58+,59+,60-,61+,62-/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H115NO23/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-45(68)63-40(47(70)41(67)33-31-29-27-25-23-17-15-13-11-9-7-5-2)38-79-59-55(78)52(75)56(44(37-66)83-59)84-62-58(86-60-53(76)50(73)46(69)39(3)80-60)57(49(72)43(36-65)82-62)85-61-54(77)51(74)48(71)42(35-64)81-61/h18-19,39-44,46-62,64-67,69-78H,4-17,20-38H2,1-3H3,(H,63,68)/b19-18-/t39-,40-,41+,42+,43+,44+,46+,47-,48-,49-,50+,51-,52+,53-,54+,55+,56+,57-,58+,59+,60-,61+,62-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:45](=[N:63][C@@H:40]([CH2:38][O:79][C@H:59]1[C@H:55]([OH:78])[C@@H:52]([OH:75])[C@H:56]([O:84][C@H:62]2[C@H:58]([O:86][C@H:60]3[C@@H:53]([OH:76])[C@H:50]([OH:73])[C@H:46]([OH:69])[C@H:39]([CH3:3])[O:80]3)[C@@H:57]([O:85][C@@H:61]3[C@H:54]([OH:77])[C@@H:51]([OH:74])[C@@H:48]([OH:71])[C@@H:42]([CH2:35][OH:64])[O:81]3)[C@@H:49]([OH:72])[C@@H:43]([CH2:36][OH:65])[O:82]2)[C@@H:44]([CH2:37][OH:66])[O:83]1)[C@@H:47]([C@@H:41]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:67])[OH:70])[OH:68] |
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