(1S)-1-[(1R,2R,5S,10S,11R,14S,15R,16R)-10,11,14-trihydroxy-5-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4S,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-met
AlkaPlorer ID: AK390382
Synonym: None
IUPAC Name: 1-[8,14,17-trihydroxy-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-12-(3-phenylprop-2-enoyloxy)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl pyridine-3-carboxylate
Structure
SMILES: COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=CC6=CC=CC=C6)C6(C)C(O)(C(C)OC(=O)C8=CC=CN=C8)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O
InChI: InChI=1S/C64H91NO20/c1-35-55(67)44(72-8)29-52(76-35)83-57-37(3)78-54(31-46(57)74-10)85-58-38(4)79-53(32-47(58)75-11)84-56-36(2)77-51(30-45(56)73-9)81-43-22-23-60(6)42(28-43)21-24-63(70)48(60)33-49(82-50(66)20-19-40-16-13-12-14-17-40)61(7)62(69,25-26-64(61,63)71)39(5)80-59(68)41-18-15-27-65-34-41/h12-21,27,34-39,43-49,51-58,67,69-71H,22-26,28-33H2,1-11H3
InChIKey: GNJZLADYVQXRLV-UHFFFAOYSA-N
Reference
Steroidal Glycosides from Roots of Cynanchum caudatum M. III.
PubChem CID: 85166445
LOTUS: LTS0036379
COCONUT: CNP0280831.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynanchum wilfordii | Cynanchum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1194.419
TPSA？: 257.17
MolLogP？: 6.287000000000008
Number of H-Donors: 4
Number of H-Acceptors: 21
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|