| Properties | Image |
|---|
| MNX_ID | MNXM1198021 |
 |
| reference | envipathM:...8512f43b8f8d |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | UQLZIIMGCQVHLT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-36(49)26(44)13-33(53-18)57-38-20(3)55-34(15-28(38)46)58-37-19(2)54-32(14-27(37)45)56-22-8-9-39(4)21(10-22)11-25(43)35-23(39)12-30(47)40(5,50)29(7-6-24(35)42)41(51)16-31(48)52-17-41/h18-23,25-29,32-38,43-46,49-51H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C(=O)CCC(C6(O)COC(=O)C6)C(C)(O)C(=O)CC45)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-36(49)26(44)13-33(53-18)57-38-20(3)55-34(15-28(38)46)58-37-19(2)54-32(14-27(37)45)56-22-8-9-39(4)21(10-22)11-25(43)35-23(39)12-30(47)40(5,50)29(7-6-24(35)42)41(51)16-31(48)52-17-41/h18-23,25-29,32-38,43-46,49-51H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:49])[CH:26]([OH:44])[CH2:13][CH:33]([O:57][CH:38]2[CH:20]([CH3:3])[O:55][CH:34]([O:58][CH:37]3[CH:19]([CH3:2])[O:54][CH:32]([O:56][CH:22]4[CH2:8][CH2:9][C:39]5([CH3:4])[CH:21]([CH2:10]4)[CH2:11][CH:25]([OH:43])[CH:35]4[CH:23]5[CH2:12][C:30](=[O:47])[C:40]([CH3:5])([OH:50])[CH:29]([C:41]5([OH:51])[CH2:16][C:31](=[O:48])[O:52][CH2:17]5)[CH2:7][CH2:6][C:24]4=[O:42])[CH2:14][CH:27]3[OH:45])[CH2:15][CH:28]2[OH:46])[O:53]1 |
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