| Properties | Image |
|---|
| MNX_ID | MNXM1185233 |
 |
| reference | envipathM:...f09e3bf46ada |
| formula | C41H64O16 |
| global charge | 0 |
| mol weight | 812.947 |
| InChIKey | RTZSDNNTAJVVNT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O16/c1-19-35(48)25(43)13-32(52-19)56-36-20(2)53-33(14-26(36)44)57-37-27(45)15-34(55-28(37)17-42)54-23-6-8-38(3)22(12-23)5-9-40(49)29(38)16-30(46)39(4)24(7-10-41(39,40)50)21-11-31(47)51-18-21/h19-26,28-30,32-37,42-44,46,48-50H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(C7COC(=O)C7)CCC65O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-19-35(48)25(43)13-32(52-19)56-36-20(2)53-33(14-26(36)44)57-37-27(45)15-34(55-28(37)17-42)54-23-6-8-38(3)22(12-23)5-9-40(49)29(38)16-30(46)39(4)24(7-10-41(39,40)50)21-11-31(47)51-18-21/h19-26,28-30,32-37,42-44,46,48-50H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:48])[CH:25]([OH:43])[CH2:13][CH:32]([O:56][CH:36]2[CH:20]([CH3:2])[O:53][CH:33]([O:57][CH:37]3[C:27](=[O:45])[CH2:15][CH:34]([O:54][CH:23]4[CH2:6][CH2:8][C:38]5([CH3:3])[CH:22]([CH2:5][CH2:9][C:40]6([OH:49])[CH:29]5[CH2:16][CH:30]([OH:46])[C:39]5([CH3:4])[CH:24]([CH:21]7[CH2:11][C:31](=[O:47])[O:51][CH2:18]7)[CH2:7][CH2:10][C:41]56[OH:50])[CH2:12]4)[O:55][CH:28]3[CH2:17][OH:42])[CH2:14][CH:26]2[OH:44])[O:52]1 |
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