| Properties | Image |
|---|
| MNX_ID | MNXM1581675 |
 |
| reference | vmhM:MGlcn152_rl
vmhM:MGlcn152_rl |
| formula | C41H68N4O29 |
| global charge | 0 |
| mol weight | 1080.994 |
| InChIKey | SLFWHBVEHWDMEJ-IKQCINMJSA-N |
| InChI | InChI=1S/C41H68N4O29/c1-11(50)42-21-15(54)5-41(40(64)65,74-34(21)25(56)16(55)6-46)66-10-20-28(59)33(24(36(63)67-20)45-14(4)53)72-38-23(44-13(3)52)30(61)32(19(9-49)70-38)71-39-31(62)35(27(58)18(8-48)69-39)73-37-22(43-12(2)51)29(60)26(57)17(7-47)68-37/h15-39,46-49,54-63H,5-10H2,1-4H3,(H,42,50)(H,43,51)(H,44,52)(H,45,53)(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](O[C@H]3[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO[C@@]5(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O5)O[C@@H](O)[C@@H]4NC(C)=O)O[C@H]3CO)O[C@@H](CO)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C41H68N4O29/c1-11(50)42-21-15(54)5-41(40(64)65,74-34(21)25(56)16(55)6-46)66-10-20-28(59)33(24(36(63)67-20)45-14(4)53)72-38-23(44-13(3)52)30(61)32(19(9-49)70-38)71-39-31(62)35(27(58)18(8-48)69-39)73-37-22(43-12(2)51)29(60)26(57)17(7-47)68-37/h15-39,46-49,54-63H,5-10H2,1-4H3,(H,42,50)(H,43,51)(H,44,52)(H,45,53)(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:54])[CH2:5][C@:41]([C:40](=[O:64])[OH:65])([O:66][CH2:10][C@@H:20]2[C@H:28]([OH:59])[C@@H:33]([O:72][C@@H:38]3[C@@H:23]([NH:44][C:13]([CH3:3])=[O:52])[C@H:30]([OH:61])[C@H:32]([O:71][C@@H:39]4[C@H:31]([OH:62])[C@@H:35]([O:73][C@@H:37]5[C@@H:22]([NH:43][C:12]([CH3:2])=[O:51])[C@H:29]([OH:60])[C@H:26]([OH:57])[C@H:17]([CH2:7][OH:47])[O:68]5)[C@H:27]([OH:58])[C@H:18]([CH2:8][OH:48])[O:69]4)[C@H:19]([CH2:9][OH:49])[O:70]3)[C@@H:24]([NH:45][C:14]([CH3:4])=[O:53])[C@H:36]([OH:63])[O:67]2)[O:74][C@@H:34]1[C@@H:25]([C@@H:16]([CH2:6][OH:46])[OH:55])[OH:56])=[O:50] |
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