| Properties | Image |
|---|
| MNX_ID | MNXM1183919 |
 |
| reference | envipathM:...5880759c508a |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | GDIBWNDIGWVTRF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-34(48)25(43)13-32(52-17)57-36-19(3)54-33(15-27(36)45)58-35-18(2)53-31(14-26(35)44)55-20-6-8-38(4)21-12-29(46)39(5)28(40(50)16-30(47)56-37(40)49)7-9-41(39,51)22(21)11-24(42)23(38)10-20/h17-25,27-29,31-36,42-43,45-46,48,50-51H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C4(O)CC(=O)OC4=O)CCC23O)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-34(48)25(43)13-32(52-17)57-36-19(3)54-33(15-27(36)45)58-35-18(2)53-31(14-26(35)44)55-20-6-8-38(4)21-12-29(46)39(5)28(40(50)16-30(47)56-37(40)49)7-9-41(39,51)22(21)11-24(42)23(38)10-20/h17-25,27-29,31-36,42-43,45-46,48,50-51H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:48])[CH:25]([OH:43])[CH2:13][CH:32]([O:57][CH:36]2[CH:19]([CH3:3])[O:54][CH:33]([O:58][CH:35]3[CH:18]([CH3:2])[O:53][CH:31]([O:55][CH:20]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:21]6[CH2:12][CH:29]([OH:46])[C:39]7([CH3:5])[CH:28]([C:40]8([OH:50])[CH2:16][C:30](=[O:47])[O:56][C:37]8=[O:49])[CH2:7][CH2:9][C:41]7([OH:51])[CH:22]6[CH2:11][CH:24]([OH:42])[CH:23]5[CH2:10]4)[CH2:14][C:26]3=[O:44])[CH2:15][CH:27]2[OH:45])[O:52]1 |
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