(1S)-1-[(1R,2R,5S,10S,11R,14S,15R,16R)-10,11,14-trihydroxy-5-{[(2R,4S,5R,6R)-5-{[(2S,4R,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: AK390384
Synonym: None
IUPAC Name: [(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4R,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-methyloxan-2-yl]oxy-10,13-dimethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] pyridine-3-carboxylate
Structure
SMILES: CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4[C@@H](OC)C[C@H](O[C@H]5CC[C@@]6(C)C(=CC[C@]7(O)[C@@H]6C[C@@H](OC(=O)/C=C/C6=CC=CC=C6)[C@@]6(C)[C@]7(O)CC[C@@]6(O)[C@H](C)OC(=O)C6=CC=CN=C6)C5)O[C@@H]4C)C[C@H]3OC)C[C@H]2OC)O[C@H](C)[C@H]1O
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/b20-19+/t35-,36-,37-,38-,39+,43+,44+,45+,46-,47-,48-,49-,51+,52+,53+,54+,55-,56-,57-,58-,60+,61-,62-,63+,64-/m1/s1
InChIKey: GNJZLADYVQXRLV-HCKCMMKPSA-N
Reference
Pregnane Glycoside Multidrug-Resistance Modulators from <i>Cynanchum </i><i>w</i><i>ilfordii</i>
PubChem CID: 163193373
LOTUS: LTS0156059
SuperNatural Ⅲ: SN0110354-03
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？: 6.287000000000011
Number of H-Donors: 4
Number of H-Acceptors: 21
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|