| Properties | Image |
|---|
| MNX_ID | MNXM1335600 |
 |
| reference | envipathM:...a2e77c7440df |
| formula | C45H71NO16 |
| global charge | 0 |
| mol weight | 882.054 |
| InChIKey | STATUNICWPOVML-ZEJBACIFSA-N |
| InChI | InChI=1S/C45H71NO16/c1-18-6-9-25-19(2)30-26(46(25)15-18)13-24-23-8-7-21-12-22(10-11-44(21,4)31(23)27(49)14-45(24,30)5)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/h7,18-20,22-33,35-43,47-51,53-56H,6,8-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,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(CO)C(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CC[C@]6(C)C5C(O)C[C@@]43C)N2C1 |
MNX internals
| InChI (mnx) | InChI=1/C45H71NO16/c1-18-6-9-25-19(2)30-26(46(25)15-18)13-24-23-8-7-21-12-22(10-11-44(21,4)31(23)27(49)14-45(24,30)5)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/h7,18-20,22-33,35-43,47-51,53-56H,6,8-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44-,45-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH2:6][CH2:9][CH:25]2[CH:19]([CH3:2])[CH:30]3[CH:26]([CH2:13][CH:24]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]([CH2:16][OH:47])[O:59]8)[C:34](=[O:52])[CH:29]([CH2:17][OH:48])[O:60]7)[CH2:10][CH2:11][C@:44]6([CH3:4])[CH:31]5[CH:27]([OH:49])[CH2:14][C@@:45]43[CH3:5])[N:46]2[CH2:15]1 |
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