| Properties | Image |
|---|
| MNX_ID | MNXM1138423 |
 |
| reference | envipathM:...0c13c0031664 |
| formula | C45H71NO16 |
| global charge | 0 |
| mol weight | 882.054 |
| InChIKey | HHTMHWMZILGEDX-FEWYNWEYSA-N |
| InChI | InChI=1S/C45H71NO16/c1-18-6-9-26-19(2)31-27(46(26)15-18)14-25-23-8-7-21-12-22(13-30(49)45(21,5)24(23)10-11-44(25,31)4)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h7,16,18-20,22-43,48-56H,6,8-15,17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44-,45-/m0/s1 |
| SMILES | CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OC(C=O)C(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CC(O)[C@]6(C)C5CC[C@@]43C)N2C1 |
MNX internals
| InChI (mnx) | InChI=1/C45H71NO16/c1-18-6-9-26-19(2)31-27(46(26)15-18)14-25-23-8-7-21-12-22(13-30(49)45(21,5)24(23)10-11-44(25,31)4)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h7,16,18-20,22-43,48-56H,6,8-15,17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44-,45-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH2:6][CH2:9][CH:26]2[CH:19]([CH3:2])[CH:31]3[CH:27]([CH2:14][CH:25]4[CH:23]5[CH2:8][CH:7]=[C:21]6[CH2:12][CH:22]([O:58][CH:43]7[CH:40]([O:62][CH:41]8[CH:37]([OH:55])[CH:35]([OH:53])[CH:32]([OH:50])[CH:20]([CH3:3])[O:57]8)[CH:39]([O:61][CH:42]8[CH:38]([OH:56])[CH:36]([OH:54])[CH:33]([OH:51])[CH:28]([CH:16]=[O:47])[O:59]8)[CH:34]([OH:52])[CH:29]([CH2:17][OH:48])[O:60]7)[CH2:13][CH:30]([OH:49])[C@:45]6([CH3:5])[CH:24]5[CH2:10][CH2:11][C@@:44]43[CH3:4])[N:46]2[CH2:15]1 |
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