| Properties | Image |
|---|
| MNX_ID | MNXM1180488 |
 |
| reference | envipathM:...09ed6a5a6ee7 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | KEYGDZRAWRQPHH-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-30(47)16-41(51)31(40(18,50)9-7-25(42)22-10-32(48)52-17-22)12-26(43)24-11-23(6-8-39(24,41)5)56-33-14-28(45)37(20(3)54-33)58-35-15-29(46)38(21(4)55-35)57-34-13-27(44)36(49)19(2)53-34/h10,18-21,23-24,26-29,31,33-38,43-46,49-51H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C(O)(CCC(=O)C6=CC(=O)OC6)C(C)C(=O)CC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-30(47)16-41(51)31(40(18,50)9-7-25(42)22-10-32(48)52-17-22)12-26(43)24-11-23(6-8-39(24,41)5)56-33-14-28(45)37(20(3)54-33)58-35-15-29(46)38(21(4)55-35)57-34-13-27(44)36(49)19(2)53-34/h10,18-21,23-24,26-29,31,33-38,43-46,49-51H,6-9,11-17H2,1-5H3/t18?,19?,20?,21?,23?,24?,26?,27?,28?,29?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:30](=[O:47])[CH2:16][C:41]2([OH:51])[CH:31]([CH2:12][CH:26]([OH:43])[CH:24]3[CH2:11][CH:23]([O:56][CH:33]4[CH2:14][CH:28]([OH:45])[CH:37]([O:58][CH:35]5[CH2:15][CH:29]([OH:46])[CH:38]([O:57][CH:34]6[CH2:13][CH:27]([OH:44])[CH:36]([OH:49])[CH:19]([CH3:2])[O:53]6)[CH:21]([CH3:4])[O:55]5)[CH:20]([CH3:3])[O:54]4)[CH2:6][CH2:8][C:39]32[CH3:5])[C:40]1([CH2:9][CH2:7][C:25]([C:22]1=[CH:10][C:32](=[O:48])[O:52][CH2:17]1)=[O:42])[OH:50] |
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