| Properties | Image |
|---|
| MNX_ID | MNXM65880 |
 |
| reference | chebi:7800 |
| formula | C45H74O17 |
| global charge | 0 |
| mol weight | 887.07 |
| InChIKey | QZOALWMSYRBZSA-XSAMIUIESA-N |
| InChI | InChI=1S/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3/t18-,19+,20+,21+,22+,23+,24?,25+,26+,27-,29?,30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-/m1/s1 |
| SMILES | C[C@H](C1CC[C@@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O1)C1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3/t18-,19+,20+,21+,22+,23+,24?,25+,26+,27-,29?,30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:7][CH2:10][CH:29]([C@@H:19]([CH3:2])[CH:24]2[CH2:8][CH2:9][C@H:25]3[C@@H:23]4[CH2:16][C:28](=[O:47])[C@H:27]5[CH2:15][C@@H:22]([O:58][C@H:43]6[C@H:39]([O:61][C@H:41]7[C@H:37]([OH:54])[C@H:34]([OH:51])[C@@H:31]([OH:48])[C@H:20]([CH3:3])[O:56]7)[C@@H:36]([OH:53])[C@H:33]([OH:50])[C@@H:30]([CH2:17][OH:46])[O:60]6)[CH2:11][CH2:13][C@:45]5([CH3:6])[C@H:26]4[CH2:12][CH2:14][C@:44]23[CH3:5])[O:59][C@@H:40]1[O:62][C@H:42]1[C@H:38]([OH:55])[C@H:35]([OH:52])[C@@H:32]([OH:49])[C@H:21]([CH3:4])[O:57]1 |
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