| Properties | Image |
|---|
| MNX_ID | MNXM103905 |
 |
| reference | chebi:69601 |
| formula | C47H78O17 |
| global charge | 0 |
| mol weight | 915.124 |
| InChIKey | KDMNJNSCPQVDIN-JYBDQZIRSA-N |
| InChI | InChI=1S/C47H78O17/c1-42(2)14-15-47(21-50)23(16-42)22-8-9-28-44(5)12-11-30(43(3,4)27(44)10-13-45(28,6)46(22,7)17-29(47)51)63-41-38(64-40-37(58)35(56)32(53)25(19-49)61-40)33(54)26(20-59-41)62-39-36(57)34(55)31(52)24(18-48)60-39/h8,23-41,48-58H,9-21H2,1-7H3/t23-,24+,25+,26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47+/m0/s1 |
| SMILES | CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C47H78O17/c1-42(2)14-15-47(21-50)23(16-42)22-8-9-28-44(5)12-11-30(43(3,4)27(44)10-13-45(28,6)46(22,7)17-29(47)51)63-41-38(64-40-37(58)35(56)32(53)25(19-49)61-40)33(54)26(20-59-41)62-39-36(57)34(55)31(52)24(18-48)60-39/h8,23-41,48-58H,9-21H2,1-7H3/t23-,24+,25+,26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:42]1([CH3:2])[CH2:14][CH2:15][C@@:47]2([CH2:21][OH:50])[C@@H:23]([CH2:16]1)[C:22]1=[CH:8][CH2:9][C@@H:28]3[C@@:44]4([CH3:5])[CH2:12][CH2:11][C@H:30]([O:63][C@H:41]5[C@H:38]([O:64][C@H:40]6[C@H:37]([OH:58])[C@@H:35]([OH:56])[C@H:32]([OH:53])[C@@H:25]([CH2:19][OH:49])[O:61]6)[C@@H:33]([OH:54])[C@@H:26]([O:62][C@H:39]6[C@H:36]([OH:57])[C@@H:34]([OH:55])[C@H:31]([OH:52])[C@@H:24]([CH2:18][OH:48])[O:60]6)[CH2:20][O:59]5)[C:43]([CH3:3])([CH3:4])[C@@H:27]4[CH2:10][CH2:13][C@@:45]3([CH3:6])[C@:46]1([CH3:7])[CH2:17][C@H:29]2[OH:51] |
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