(1R,2R,5S,10S,11R,14R,15S,16R)-14-acetyl-10,11-dihydroxy-5-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methy
AlkaPlorer ID: AK377688
Synonym: None
IUPAC Name: [17-acetyl-8,14-dihydroxy-3-[5-[5-[5-(5-hydroxy-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-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
Structure
SMILES: COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C6=CC=CN=C6)C6(C)C(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O
InChI: InChI=1S/C55H83NO18/c1-28(57)36-16-19-55(61)53(36,7)42(71-51(59)33-13-12-20-56-27-33)26-41-52(6)17-15-35(21-34(52)14-18-54(41,55)60)70-43-23-38(63-9)48(30(3)67-43)73-45-25-40(65-11)50(32(5)69-45)74-46-24-39(64-10)49(31(4)68-46)72-44-22-37(62-8)47(58)29(2)66-44/h12-14,20,27,29-32,35-50,58,60-61H,15-19,21-26H2,1-11H3
InChIKey: FKAUVIFTTGMCST-UHFFFAOYSA-N
Reference
Steroidal Glycosides from Roots of Cynanchum caudatum M. III.
PubChem CID: 74429417
LOTUS: LTS0080221
COCONUT: CNP0187986.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asclepias syriaca | Asclepias | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1046.258
TPSA？: 227.71
MolLogP？: 5.1160000000000085
Number of H-Donors: 3
Number of H-Acceptors: 19
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|