None
AlkaPlorer ID: AK426738
Synonym: None
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-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[(2E,6S)-6-[(2S,3R,4S,5R,6R)-4-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-5-hydroxy-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(\C)C(=O)O[C@@H]1[C@@H](O)[C@H](O[C@](C)(C=C)CC/C=C(\C)C(=O)O[C@H]2C[C@]3(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)C[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7N=C(C)O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3CC2(C)C)O[C@H](C)[C@H]1O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C104H165NO48/c1-19-99(14,152-92-77(128)70(121)61(112)43(5)136-92)29-22-24-42(4)86(132)146-81-63(114)45(7)137-93(78(81)129)153-100(15,20-2)30-21-23-41(3)85(131)144-59-35-104(96(133)151-95-84(73(124)66(117)52(37-107)142-95)150-91-79(130)82(148-90-76(127)71(122)65(116)51(36-106)140-90)80(46(8)139-91)147-89-75(126)67(118)53(38-108)141-89)49(33-97(59,10)11)48-25-26-56-101(16)31-28-58(98(12,13)55(101)27-32-102(56,17)103(48,18)34-57(104)111)145-87-60(105-47(9)109)69(120)68(119)54(143-87)40-135-94-83(72(123)62(113)44(6)138-94)149-88-74(125)64(115)50(110)39-134-88/h19-20,23-25,43-46,49-84,87-95,106-108,110-130H,1-2,21-22,26-40H2,3-18H3,(H,105,109)/b41-23+,42-24+/t43-,44-,45-,46+,49+,50-,51-,52-,53+,54-,55+,56-,57-,58+,59+,60-,61-,62+,63-,64+,65-,66-,67+,68-,69-,70+,71+,72+,73+,74-,75-,76-,77-,78-,79-,80+,81+,82+,83-,84-,87+,88+,89+,90+,91+,92+,93+,94-,95+,99-,100-,101+,102-,103-,104-/m1/s1
InChIKey: JUCBGUGCYHDCGF-BVJOXJFHSA-N
Reference
New Triterpenoidal Saponins Acylated with Monoterpenic Acid from <i>Albizia adianthifolia</i>
PubChem CID: 102072486
LOTUS: LTS0006312
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albizia adianthifolia | Albizia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 2197.422999999998
TPSA？: 753.9200000000004
MolLogP？: -4.171200000000053
Number of H-Donors: 25
Number of H-Acceptors: 48
RingCount: 14
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|