Julibroside J29
AlkaPlorer ID: AK197120
Synonym: ''
IUPAC Name: [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-3-[(2E,6S)-2-(hydroxymethyl)-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Structure
SMILES: C=C[C@](C)(CC/C=C(\CO)C(=O)O[C@@H]1C[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](O)[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6N=C(C)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C88H141NO43/c1-13-84(9,132-78-66(112)59(105)51(97)33(2)119-78)20-14-15-36(27-90)72(114)125-49-26-88(81(116)131-80-71(61(107)55(101)42(29-92)123-80)129-77-67(113)69(121-41-23-37(28-91)52(98)60(106)54(41)100)68(34(3)120-77)127-76-65(111)56(102)43(30-93)122-76)39(24-82(49,5)6)38-16-17-46-85(10)21-19-48(83(7,8)45(85)18-22-86(46,11)87(38,12)25-47(88)96)126-74-50(89-35(4)94)58(104)57(103)44(124-74)32-118-79-70(62(108)63(109)73(115)130-79)128-75-64(110)53(99)40(95)31-117-75/h13,15-16,33-34,37,39-71,73-80,90-93,95-113,115H,1,14,17-32H2,2-12H3,(H,89,94)/b36-15+/t33-,34+,37-,39+,40-,41-,42-,43+,44-,45+,46-,47-,48+,49-,50-,51-,52-,53+,54+,55-,56+,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-,67-,68+,69+,70-,71-,73+,74+,75+,76+,77+,78+,79-,80+,84-,85+,86-,87-,88-/m1/s1
InChIKey: XPGLFHXTYHTSBD-YZNLLPDLSA-N
Reference
Cytotoxic Triterpenoid Saponins Acylated with Monoterpenic Acid from <i>Pithecellobium lucidum</i>
PubChem CID: 163106599
LOTUS: LTS0127670
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Archidendron lucidum | Archidendron | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1901.0600000000009
TPSA？: 699.9300000000004
MolLogP？: -6.671500000000064
Number of H-Donors: 25
Number of H-Acceptors: 43
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|