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name Structure Reference Source Properties Activities Metabolism

(1R,2R,5S,10S,11R,14S,15S,16R)-14-acetyl-10,11,14-trihydroxy-5-{[(2R,4S,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-m

AlkaPlorer ID: AK023826

Synonym: None

IUPAC Name: [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate

Structure

SMILES: CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4[C@@H](O)C[C@H](O[C@H]5CC[C@@]6(C)C(=CC[C@]7(O)[C@@H]6C[C@@H](OC(=O)C6=CC=CN=C6)[C@@]6(C)[C@]7(O)CC[C@@]6(O)C(C)=O)C5)O[C@@H]4C)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O

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InChI: InChI=1S/C52H77NO19/c1-25-43(58)36(63-8)22-42(64-25)72-46-28(4)67-41(21-35(46)57)71-45-27(3)66-40(20-34(45)56)70-44-26(2)65-39(19-33(44)55)68-32-12-13-48(6)31(18-32)11-14-51(61)37(48)23-38(69-47(59)30-10-9-17-53-24-30)49(7)50(60,29(5)54)15-16-52(49,51)62/h9-11,17,24-28,32-46,55-58,60-62H,12-16,18-23H2,1-8H3/t25-,26-,27-,28-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,48+,49-,50-,51+,52-/m1/s1

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InChIKey: UBAKOEYTWKHWJA-ZAKDWIRRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Asclepias incarnata Asclepias Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1020.1760000000002

TPSA？: 280.93999999999994

MolLogP？: 2.268600000000005

Number of H-Donors: 7

Number of H-Acceptors: 20

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information