Navigation

name Structure Reference Source Properties Activities Metabolism

(1R,2R,5S,10S,11R,14R,15S,16R)-14-acetyl-10,11-dihydroxy-5-{[(2R,4S,5R,6R)-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}-4-methoxy-6-methy

AlkaPlorer ID: AK120276

Synonym: None

IUPAC Name: [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5R,6R)-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-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: CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)C3=CC=CN=C3)[C@]3(C)[C@H](C(C)=O)CC[C@@]34O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@@H](OC)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1

copy

InChI: InChI=1S/C53H79NO18/c1-26(55)34-14-17-53(61)51(34,7)40(69-49(59)31-11-10-18-54-25-31)24-39-50(6)15-13-33(19-32(50)12-16-52(39,53)60)68-43-23-38(63-9)48(30(5)67-43)72-42-21-36(57)46(28(3)66-42)70-41-20-35(56)47(29(4)65-41)71-44-22-37(62-8)45(58)27(2)64-44/h10-12,18,25,27-30,33-48,56-58,60-61H,13-17,19-24H2,1-9H3/t27-,28-,29-,30-,33+,34+,35+,36+,37-,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50+,51+,52+,53-/m1/s1

copy

InChIKey: XIKGLKOSDJBZOL-JVEAISHXSA-N

copy

Source

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

Properties Information

Molecule Weight: 1018.2040000000004

TPSA？: 249.70999999999992

MolLogP？: 3.8078000000000056

Number of H-Donors: 5

Number of H-Acceptors: 19

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information