| Properties | Image |
|---|
| MNX_ID | MNXM1193609 |
 |
| reference | envipathM:...1fc2d12ac00e |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | RGVPSJOBZCFRRE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-17-35(49)26(44)13-33(52-17)58-37-28(46)15-34(55-29(37)16-42)57-36-18(2)53-32(14-27(36)45)54-19-5-7-39(3)22-12-30(47)40(4)21(20-10-31(48)56-38(20)50)6-8-41(40,51)23(22)11-25(43)24(39)9-19/h17-30,32-34,36-38,42-47,50-51H,5-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C6CC(=O)OC6O)CCC45O)OC3C)OC2CO)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-17-35(49)26(44)13-33(52-17)58-37-28(46)15-34(55-29(37)16-42)57-36-18(2)53-32(14-27(36)45)54-19-5-7-39(3)22-12-30(47)40(4)21(20-10-31(48)56-38(20)50)6-8-41(40,51)23(22)11-25(43)24(39)9-19/h17-30,32-34,36-38,42-47,50-51H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[C:35](=[O:49])[CH:26]([OH:44])[CH2:13][CH:33]([O:58][CH:37]2[CH:28]([OH:46])[CH2:15][CH:34]([O:57][CH:36]3[CH:18]([CH3:2])[O:53][CH:32]([O:54][CH:19]4[CH2:5][CH2:7][C:39]5([CH3:3])[CH:22]6[CH2:12][CH:30]([OH:47])[C:40]7([CH3:4])[CH:21]([CH:20]8[CH2:10][C:31](=[O:48])[O:56][CH:38]8[OH:50])[CH2:6][CH2:8][C:41]7([OH:51])[CH:23]6[CH2:11][CH:25]([OH:43])[CH:24]5[CH2:9]4)[CH2:14][CH:27]3[OH:45])[O:55][CH:29]2[CH2:16][OH:42])[O:52]1 |
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