| Properties | Image |
|---|
| MNX_ID | MNXM1581677 |
 |
| reference | vmhM:MGlcn153_rl
vmhM:MGlcn153_rl |
| formula | C41H68N4O29 |
| global charge | 0 |
| mol weight | 1080.994 |
| InChIKey | DVYKGRNVTZPSBJ-WHZCVYJISA-N |
| InChI | InChI=1S/C41H68N4O29/c1-11(51)42-21-15(55)5-41(40(64)65,74-34(21)25(57)16(56)6-46)73-32-20(10-50)69-38(23(29(32)61)44-13(3)53)72-35-27(59)18(8-48)67-39(30(35)62)70-31-19(9-49)68-37(22(28(31)60)43-12(2)52)71-33-24(45-14(4)54)36(63)66-17(7-47)26(33)58/h15-39,46-50,55-63H,5-10H2,1-4H3,(H,42,51)(H,43,52)(H,44,53)(H,45,54)(H,64,65)/t15-,16-,17-,18+,19+,20+,21+,22+,23+,24-,25-,26+,27-,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,41+/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)O[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@@]4(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O4)[C@@H](O)[C@@H]3NC(C)=O)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C41H68N4O29/c1-11(51)42-21-15(55)5-41(40(64)65,74-34(21)25(57)16(56)6-46)73-32-20(10-50)69-38(23(29(32)61)44-13(3)53)72-35-27(59)18(8-48)67-39(30(35)62)70-31-19(9-49)68-37(22(28(31)60)43-12(2)52)71-33-24(45-14(4)54)36(63)66-17(7-47)26(33)58/h15-39,46-50,55-63H,5-10H2,1-4H3,(H,42,51)(H,43,52)(H,44,53)(H,45,54)(H,64,65)/t15-,16-,17-,18+,19+,20+,21+,22+,23+,24-,25-,26+,27-,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,41+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11]([NH:42][C@H:21]1[C@H:15]([OH:55])[CH2:5][C@:41]([C:40](=[O:64])[OH:65])([O:73][C@@H:32]2[C@H:20]([CH2:10][OH:50])[O:69][C@H:38]([O:72][C@H:35]3[C@H:27]([OH:59])[C@H:18]([CH2:8][OH:48])[O:67][C@H:39]([O:70][C@@H:31]4[C@H:19]([CH2:9][OH:49])[O:68][C@H:37]([O:71][C@H:33]5[C@@H:24]([NH:45][C:14]([CH3:4])=[O:54])[C@H:36]([OH:63])[O:66][C@H:17]([CH2:7][OH:47])[C@@H:26]5[OH:58])[C@@H:22]([NH:43][C:12]([CH3:2])=[O:52])[C@@H:28]4[OH:60])[C@@H:30]3[OH:62])[C@@H:23]([NH:44][C:13]([CH3:3])=[O:53])[C@@H:29]2[OH:61])[O:74][C@@H:34]1[C@@H:25]([C@@H:16]([CH2:6][OH:46])[OH:56])[OH:57])=[O:51] |
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