| Properties | Image |
|---|
| MNX_ID | MNXM1178601 |
 |
| reference | envipathM:...49b6022a98b2 |
| formula | C41H67O17 |
| global charge | -1 |
| mol weight | 831.97 |
| InChIKey | SRBVDUPTUXTCHE-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H68O17/c1-19-34(49)25(43)13-32(53-19)57-36-21(3)55-33(15-27(36)45)58-35-20(2)54-31(14-26(35)44)56-23-6-9-37(4)39(50,16-23)10-8-28-40(51)11-7-24(22(18-42)12-30(47)48)38(40,5)29(46)17-41(28,37)52/h19-29,31-36,42-46,49-52H,6-18H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(CCC6C7(O)CCC(C(CO)CC(=O)[O-])C7(C)C(O)CC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H68O17/c1-19-34(49)25(43)13-32(53-19)57-36-21(3)55-33(15-27(36)45)58-35-20(2)54-31(14-26(35)44)56-23-6-9-37(4)39(50,16-23)10-8-28-40(51)11-7-24(22(18-42)12-30(47)48)38(40,5)29(46)17-41(28,37)52/h19-29,31-36,42-46,49-52H,6-18H2,1-5H3,(H,47,48)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:49])[CH:25]([OH:43])[CH2:13][CH:32]([O:57][CH:36]2[CH:21]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:20]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:6][CH2:9][C:37]5([CH3:4])[C:39]([OH:50])([CH2:10][CH2:8][CH:28]6[C:40]7([OH:51])[CH2:11][CH2:7][CH:24]([CH:22]([CH2:12][C:30](=[O:47])[OH:48])[CH2:18][OH:42])[C:38]7([CH3:5])[CH:29]([OH:46])[CH2:17][C:41]65[OH:52])[CH2:16]4)[CH2:14][CH:26]3[OH:44])[CH2:15][CH:27]2[OH:45])[O:53]1 |
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