| Properties | Image |
|---|
| MNX_ID | MNXM161987 |
 |
| reference | keggD:D10033 |
| formula | C50H83NO23 |
| global charge | 0 |
| mol weight | 1066.198 |
| InChIKey | ICVKYYINQHWDLM-KBEWXLTPSA-N |
| InChI | InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1 |
| SMILES | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC.O=C(O)[C@H](O)[C@@H](O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1 |
 |
| SMILES (mnx) | [C@@H:65]([C@H:66]([C:68](=[O:73])[OH:74])[OH:70])([C:67](=[O:71])[OH:72])[OH:69].[CH3:1][CH2:13][C@@H:33]1[C@@H:30]([CH2:22][O:58][C@H:45]2[C@H:42]([O:57][CH3:12])[C@H:41]([O:56][CH3:11])[C@H:37]([OH:52])[C@@H:26]([CH3:5])[O:60]2)/[CH:18]=[C:23]([CH3:2])/[CH:14]=[CH:15]/[C:31](=[O:49])[C@H:24]([CH3:3])[CH2:19][C@H:29]([CH2:16][CH:17]=[O:48])[C@H:39]([O:64][C@H:44]2[C@H:38]([OH:53])[C@@H:36]([N:47]([CH3:9])[CH3:10])[C@H:40]([O:63][C@H:35]3[CH2:21][C@@:46]([CH3:8])([OH:55])[C@@H:43]([OH:54])[C@H:28]([CH3:7])[O:59]3)[C@@H:27]([CH3:6])[O:61]2)[C@@H:25]([CH3:4])[C@H:32]([OH:50])[CH2:20][C:34](=[O:51])[O:62]1 |
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