| Properties | Image |
|---|
| MNX_ID | MNXM114957 |
 |
| reference | hmdb:HMDB0035437 |
| formula | C57H96O30 |
| global charge | 0 |
| mol weight | 1261.365 |
| InChIKey | VJFMEKSHTFKNOP-UHFFFAOYSA-N |
| InChI | InChI=1S/C57H96O30/c1-20(18-77-50-44(73)40(69)37(66)31(14-58)80-50)6-9-57(76-5)21(2)35-30(87-57)11-24-22-10-26(62)25-12-29(27(63)13-56(25,4)23(22)7-8-55(24,35)3)79-52-46(75)42(71)47(34(17-61)83-52)84-54-49(86-53-45(74)41(70)38(67)32(15-59)81-53)48(39(68)33(16-60)82-54)85-51-43(72)36(65)28(64)19-78-51/h20-54,58-75H,6-19H2,1-5H3 |
| SMILES | COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C |
MNX internals
| InChI (mnx) | InChI=1/C57H96O30/c1-20(18-77-50-44(73)40(69)37(66)31(14-58)80-50)6-9-57(76-5)21(2)35-30(87-57)11-24-22-10-26(62)25-12-29(27(63)13-56(25,4)23(22)7-8-55(24,35)3)79-52-46(75)42(71)47(34(17-61)83-52)84-54-49(86-53-45(74)41(70)38(67)32(15-59)81-53)48(39(68)33(16-60)82-54)85-51-43(72)36(65)28(64)19-78-51/h20-54,58-75H,6-19H2,1-5H3/t20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57? |
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| SMILES (mnx) | [CH3:1][CH:20]([CH2:6][CH2:9][C:57]1([O:76][CH3:5])[CH:21]([CH3:2])[CH:35]2[CH:30]([CH2:11][CH:24]3[CH:22]4[CH2:10][CH:26]([OH:62])[CH:25]5[CH2:12][CH:29]([O:79][CH:52]6[CH:46]([OH:75])[CH:42]([OH:71])[CH:47]([O:84][CH:54]7[CH:49]([O:86][CH:53]8[CH:45]([OH:74])[CH:41]([OH:70])[CH:38]([OH:67])[CH:32]([CH2:15][OH:59])[O:81]8)[CH:48]([O:85][CH:51]8[CH:43]([OH:72])[CH:36]([OH:65])[CH:28]([OH:64])[CH2:19][O:78]8)[CH:39]([OH:68])[CH:33]([CH2:16][OH:60])[O:82]7)[CH:34]([CH2:17][OH:61])[O:83]6)[CH:27]([OH:63])[CH2:13][C:56]5([CH3:4])[CH:23]4[CH2:7][CH2:8][C:55]32[CH3:3])[O:87]1)[CH2:18][O:77][CH:50]1[CH:44]([OH:73])[CH:40]([OH:69])[CH:37]([OH:66])[CH:31]([CH2:14][OH:58])[O:80]1 |
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