| Properties | Image |
|---|
| MNX_ID | MNXM1187012 |
 |
| reference | envipathM:...752f092da4a2 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | HCPKYTTUUCFDKS-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-17-36(49)27(43)13-34(52-17)56-38-19(3)54-35(15-29(38)45)57-37-18(2)53-33(14-28(37)44)55-21-9-25-26(42)11-24-23(39(25,4)30(46)10-21)12-31(47)40(5)22(6-7-41(24,40)50)20-8-32(48)51-16-20/h8,17-19,21-27,29-31,33-38,42-43,45-47,49-50H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C4=CC(=O)OC4)CCC23O)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-17-36(49)27(43)13-34(52-17)56-38-19(3)54-35(15-29(38)45)57-37-18(2)53-33(14-28(37)44)55-21-9-25-26(42)11-24-23(39(25,4)30(46)10-21)12-31(47)40(5)22(6-7-41(24,40)50)20-8-32(48)51-16-20/h8,17-19,21-27,29-31,33-38,42-43,45-47,49-50H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:49])[CH:27]([OH:43])[CH2:13][CH:34]([O:56][CH:38]2[CH:19]([CH3:3])[O:54][CH:35]([O:57][CH:37]3[CH:18]([CH3:2])[O:53][CH:33]([O:55][CH:21]4[CH2:9][CH:25]5[CH:26]([OH:42])[CH2:11][CH:24]6[CH:23]([CH2:12][CH:31]([OH:47])[C:40]7([CH3:5])[CH:22]([C:20]8=[CH:8][C:32](=[O:48])[O:51][CH2:16]8)[CH2:6][CH2:7][C:41]67[OH:50])[C:39]5([CH3:4])[CH:30]([OH:46])[CH2:10]4)[CH2:14][C:28]3=[O:44])[CH2:15][CH:29]2[OH:45])[O:52]1 |
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