| Properties | Image |
|---|
| MNX_ID | MNXM154824 |
 |
| reference | keggD:D07710 |
| formula | C50H91NO25 |
| global charge | 0 |
| mol weight | 1106.26 |
| InChIKey | RWVXTLPOSMQGRC-BDHJQFRQSA-N |
| InChI | InChI=1S/C38H69NO13.C12H22O12/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3;3-10,12-20H,1-2H2,(H,21,22)/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-;3-,4-,5+,6+,7-,8-,9-,10-,12+/m11/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO |
MNX internals
| InChI (mnx) | InChI=1/C38H69NO13.C12H22O12/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3;3-10,12-20H,1-2H2,(H,21,22)/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-;3-,4-,5+,6+,7-,8-,9-,10-,12+/m11/s1 |
 |
| SMILES (mnx) | [CH2:53]([C@H:55]([C@H:62]([C@@H:59]([C@H:60]([C:63](=[O:73])[OH:74])[OH:71])[OH:70])[O:76][C@H:64]1[C@H:61]([OH:72])[C@@H:58]([OH:69])[C@@H:57]([OH:68])[C@@H:56]([CH2:54][OH:66])[O:75]1)[OH:67])[OH:65].[CH3:1][CH2:15][C@@H:26]1[C@@:38]([CH3:10])([OH:45])[C@H:31]([OH:42])[C@@H:21]([CH3:4])[C:28](=[O:40])[C@H:19]([CH3:2])[CH2:17][C@@:37]([CH3:9])([O:47][CH3:14])[C@H:33]([O:52][C@H:35]2[C@H:29]([OH:41])[C@@H:25]([N:39]([CH3:11])[CH3:12])[CH2:16][C@@H:20]([CH3:3])[O:48]2)[C@@H:22]([CH3:5])[C@H:30]([O:51][C@H:27]2[CH2:18][C@@:36]([CH3:8])([O:46][CH3:13])[C@@H:32]([OH:43])[C@H:24]([CH3:7])[O:49]2)[C@@H:23]([CH3:6])[C:34](=[O:44])[O:50]1 |
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