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name Structure Reference Source Properties Activities Metabolism

(1R,2R,5S,10S,11R,14R,15S,16R)-14-acetyl-10,11-dihydroxy-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-methy

AlkaPlorer ID: AK086224

Synonym: None

IUPAC Name: [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-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-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]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@H](C(C)=O)CC[C@@]67O)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/C52H77NO18/c1-25(54)33-13-16-52(61)50(33,7)39(68-48(59)30-10-9-17-53-24-30)23-38-49(6)14-12-32(18-31(49)11-15-51(38,52)60)67-40-19-34(55)45(27(3)64-40)69-41-20-35(56)46(28(4)65-41)70-42-21-36(57)47(29(5)66-42)71-43-22-37(62-8)44(58)26(2)63-43/h9-11,17,24,26-29,32-47,55-58,60-61H,12-16,18-23H2,1-8H3/t26-,27-,28-,29-,32+,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,49+,50+,51+,52-/m1/s1

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InChIKey: LAGSYIHWUWLKLY-ZENHCJHXSA-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: 1004.177

TPSA？: 260.7099999999999

MolLogP？: 3.153700000000005

Number of H-Donors: 6

Number of H-Acceptors: 19

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information