| Properties | Image |
|---|
| MNX_ID | MNXM48472 |
 |
| reference | chebi:53499 |
| formula | C46H79N5O30 |
| global charge | 0 |
| mol weight | 1182.143 |
| InChIKey | DGNPKBLOCYSIMC-ZVEYZVCBSA-N |
| InChI | InChI=1S/C46H79N5O30/c1-13-29(63)36(70)37(71)46(73-13)81-41-28(51-18(6)61)45(77-24(11-56)40(41)80-44-26(49-16(4)59)34(68)32(66)22(9-54)75-44)78-38(19(7-52)47-14(2)57)30(64)20(62)12-72-42-27(50-17(5)60)35(69)39(23(10-55)76-42)79-43-25(48-15(3)58)33(67)31(65)21(8-53)74-43/h13,19-46,52-56,62-71H,7-12H2,1-6H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)/t13-,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?/m0/s1 |
| SMILES | CC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)COC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C46H79N5O30/c1-13-29(63)36(70)37(71)46(73-13)81-41-28(51-18(6)61)45(77-24(11-56)40(41)80-44-26(49-16(4)59)34(68)32(66)22(9-54)75-44)78-38(19(7-52)47-14(2)57)30(64)20(62)12-72-42-27(50-17(5)60)35(69)39(23(10-55)76-42)79-43-25(48-15(3)58)33(67)31(65)21(8-53)74-43/h13,19-46,52-56,62-71H,7-12H2,1-6H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)/t13-,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?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:13]1[C@@H:29]([OH:63])[C@@H:36]([OH:70])[C@H:37]([OH:71])[CH:46]([O:81][C@@H:41]2[C@@H:28]([N:51]=[C:18]([CH3:6])[OH:61])[CH:45]([O:78][C@H:38]([C@H:19]([CH2:7][OH:52])[N:47]=[C:14]([CH3:2])[OH:57])[C@H:30]([C@@H:20]([CH2:12][O:72][CH:42]3[C@H:27]([N:50]=[C:17]([CH3:5])[OH:60])[C@@H:35]([OH:69])[C@H:39]([O:79][CH:43]4[C@H:25]([N:48]=[C:15]([CH3:3])[OH:58])[C@@H:33]([OH:67])[C@@H:31]([OH:65])[C@@H:21]([CH2:8][OH:53])[O:74]4)[C@@H:23]([CH2:10][OH:55])[O:76]3)[OH:62])[OH:64])[O:77][C@H:24]([CH2:11][OH:56])[C@H:40]2[O:80][CH:44]2[C@H:26]([N:49]=[C:16]([CH3:4])[OH:59])[C@@H:34]([OH:68])[C@@H:32]([OH:66])[C@@H:22]([CH2:9][OH:54])[O:75]2)[O:73]1 |
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