| Properties | Image |
|---|
| MNX_ID | MNXM1182202 |
 |
| reference | envipathM:...18a41b804140 |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | HHCGRPAPFATBDF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-34(49)24(44)12-31(53-17)58-35-18(2)54-32(13-25(35)45)59-36-26(46)14-33(56-27(36)16-42)55-19-5-7-38(3)20-11-29(47)39(4)28(40(51)15-30(48)57-37(40)50)6-8-41(39,52)21(20)10-23(43)22(38)9-19/h17-24,26-29,31-37,42-44,46-47,49-52H,5-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4CC(O)C4(C)C(C5(O)CC(=O)OC5O)CCC34O)OC2CO)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-34(49)24(44)12-31(53-17)58-35-18(2)54-32(13-25(35)45)59-36-26(46)14-33(56-27(36)16-42)55-19-5-7-38(3)20-11-29(47)39(4)28(40(51)15-30(48)57-37(40)50)6-8-41(39,52)21(20)10-23(43)22(38)9-19/h17-24,26-29,31-37,42-44,46-47,49-52H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[CH:24]([OH:44])[CH2:12][CH:31]([O:58][CH:35]2[CH:18]([CH3:2])[O:54][CH:32]([O:59][CH:36]3[CH:26]([OH:46])[CH2:14][CH:33]([O:55][CH:19]4[CH2:5][CH2:7][C:38]5([CH3:3])[CH:20]6[CH2:11][CH:29]([OH:47])[C:39]7([CH3:4])[CH:28]([C:40]8([OH:51])[CH2:15][C:30](=[O:48])[O:57][CH:37]8[OH:50])[CH2:6][CH2:8][C:41]7([OH:52])[CH:21]6[CH2:10][CH:23]([OH:43])[CH:22]5[CH2:9]4)[O:56][CH:27]3[CH2:16][OH:42])[CH2:13][C:25]2=[O:45])[O:53]1 |
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