(1R,2R,5S,10S,11R,14S,15S,16R)-14-acetyl-5-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-y
AlkaPlorer ID: AK419271
Synonym: None
IUPAC Name: [17-acetyl-3-[5-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
Structure
SMILES: COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C3=CC=CN=C3)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1
InChI: InChI=1S/C55H83NO20/c1-27-43(58)48(67-11)44(59)50(71-27)76-47-30(4)70-42(24-37(47)66-10)75-46-29(3)69-41(23-36(46)65-9)74-45-28(2)68-40(22-35(45)64-8)72-34-15-16-51(6)33(21-34)14-17-54(62)38(51)25-39(73-49(60)32-13-12-20-56-26-32)52(7)53(61,31(5)57)18-19-55(52,54)63/h12-14,20,26-30,34-48,50,58-59,61-63H,15-19,21-25H2,1-11H3
InChIKey: JCQJHINDNGQIKA-UHFFFAOYSA-N
Reference
Acylated-oxypregnane Glycosides from the Roots of Araujia sericifera
PubChem CID: 85271441
LOTUS: LTS0039663
COCONUT: CNP0167431.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Araujia sericifera | Araujia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1078.256
TPSA？: 268.1699999999999
MolLogP？: 3.201700000000009
Number of H-Donors: 5
Number of H-Acceptors: 21
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|