| Properties | Image |
|---|
| MNX_ID | MNXM105389 |
 |
| reference | chebi:65974 |
| formula | C48H72O14 |
| global charge | 0 |
| mol weight | 873.09 |
| InChIKey | GRNFGBBADZIGAQ-OPHXPXDDSA-N |
| InChI | InChI=1S/C48H72O14/c1-43(2)19-27-26-13-14-31-45(5)17-16-33(61-41-38(56)39(28(51)23-58-41)62-42-37(55)36(54)35(53)29(22-49)59-42)44(3,4)30(45)15-18-46(31,6)47(26,7)20-32(52)48(27,24-50)34(21-43)60-40(57)25-11-9-8-10-12-25/h8-13,27-39,41-42,49-56H,14-24H2,1-7H3/t27-,28+,29+,30-,31+,32-,33-,34+,35+,36-,37+,38+,39-,41-,42-,45-,46+,47+,48-/m0/s1 |
| SMILES | CC1(C)C[C@@H](OC(=O)C2=CC=CC=C2)[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C48H72O14/c1-43(2)19-27-26-13-14-31-45(5)17-16-33(61-41-38(56)39(28(51)23-58-41)62-42-37(55)36(54)35(53)29(22-49)59-42)44(3,4)30(45)15-18-46(31,6)47(26,7)20-32(52)48(27,24-50)34(21-43)60-40(57)25-11-9-8-10-12-25/h8-13,27-39,41-42,49-56H,14-24H2,1-7H3/t27-,28+,29+,30-,31+,32-,33-,34+,35+,36-,37+,38+,39-,41-,42-,45-,46+,47+,48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:43]1([CH3:2])[CH2:19][C@H:27]2[C:26]3=[CH:13][CH2:14][C@@H:31]4[C@@:45]5([CH3:5])[CH2:17][CH2:16][C@H:33]([O:61][C@H:41]6[C@H:38]([OH:56])[C@@H:39]([O:62][C@H:42]7[C@H:37]([OH:55])[C@@H:36]([OH:54])[C@H:35]([OH:53])[C@@H:29]([CH2:22][OH:49])[O:59]7)[C@H:28]([OH:51])[CH2:23][O:58]6)[C:44]([CH3:3])([CH3:4])[C@@H:30]5[CH2:15][CH2:18][C@@:46]4([CH3:6])[C@:47]3([CH3:7])[CH2:20][C@H:32]([OH:52])[C@@:48]2([CH2:24][OH:50])[C@H:34]([O:60][C:40]([C:25]2=[CH:11][CH:9]=[CH:8][CH:10]=[CH:12]2)=[O:57])[CH2:21]1 |
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