| Properties | Image |
|---|
| MNX_ID | MNXM39776 |
 |
| reference | chebi:62018 |
| formula | C48H78N4O33 |
| global charge | 0 |
| mol weight | 1239.147 |
| InChIKey | MOGWYQQKWNBZGN-PJRFNICESA-N |
| InChI | InChI=1S/C48H78N4O33/c1-5-25(62)49-29-17(57)9-45(78,41(70)71)82-38(29)34(67)22(14-54)79-47(43(74)75)11-19(59)31(51-27(64)7-3)40(84-47)36(69)24(16-56)81-48(44(76)77)12-20(60)32(52-28(65)8-4)39(85-48)35(68)23(15-55)80-46(42(72)73)10-18(58)30(50-26(63)6-2)37(83-46)33(66)21(61)13-53/h17-24,29-40,53-61,66-69,78H,5-16H2,1-4H3,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,70,71)(H,72,73)(H,74,75)(H,76,77)/t17-,18-,19-,20-,21+,22+,23+,24+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,45+,46+,47+,48+/m0/s1 |
| SMILES | CCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](O[C@H](CO)[C@@H](O)[C@@H]3O[C@@](O[C@H](CO)[C@@H](O)[C@@H]4O[C@@](O)(C(=O)O)C[C@H](O)[C@H]4NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]3NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]2NC(=O)CC)(C(=O)O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C48H78N4O33/c1-5-25(62)49-29-17(57)9-45(78,41(70)71)82-38(29)34(67)22(14-54)79-47(43(74)75)11-19(59)31(51-27(64)7-3)40(84-47)36(69)24(16-56)81-48(44(76)77)12-20(60)32(52-28(65)8-4)39(85-48)35(68)23(15-55)80-46(42(72)73)10-18(58)30(50-26(63)6-2)37(83-46)33(66)21(61)13-53/h17-24,29-40,53-61,66-69,78H,5-16H2,1-4H3,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,70,71)(H,72,73)(H,74,75)(H,76,77)/t17-,18-,19-,20-,21+,22+,23+,24+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,45+,46+,47+,48+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C:25](=[N:49][C@@H:29]1[C@@H:17]([OH:57])[CH2:9][C@@:45]([C:41](=[O:70])[OH:71])([OH:78])[O:82][C@H:38]1[C@@H:34]([C@@H:22]([CH2:14][OH:54])[O:79][C@:47]1([C:43](=[O:74])[OH:75])[CH2:11][C@H:19]([OH:59])[C@@H:31]([N:51]=[C:27]([CH2:7][CH3:3])[OH:64])[C@H:40]([C@@H:36]([C@@H:24]([CH2:16][OH:56])[O:81][C@:48]2([C:44](=[O:76])[OH:77])[CH2:12][C@H:20]([OH:60])[C@@H:32]([N:52]=[C:28]([CH2:8][CH3:4])[OH:65])[C@H:39]([C@@H:35]([C@@H:23]([CH2:15][OH:55])[O:80][C@:46]3([C:42](=[O:72])[OH:73])[CH2:10][C@H:18]([OH:58])[C@@H:30]([N:50]=[C:26]([CH2:6][CH3:2])[OH:63])[C@H:37]([C@@H:33]([C@@H:21]([CH2:13][OH:53])[OH:61])[OH:66])[O:83]3)[OH:68])[O:85]2)[OH:69])[O:84]1)[OH:67])[OH:62] |
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