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Pursaethoside D

AlkaPlorer ID: AK162175

Synonym: '(-)-Pursaethoside D'

IUPAC Name: [(2S,3R,4S,5S,6R)-5-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,6-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Structure

SMILES: CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H](O)[C@H](O)[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C64H103NO31/c1-26(69)65-36-44(94-52-41(76)38(73)30(71)20-86-52)39(74)32(21-87-51-40(75)37(72)29(70)19-85-51)91-50(36)92-35-12-13-59(6)33(58(35,4)5)11-14-60(7)34(59)10-9-27-28-17-57(2,3)15-16-64(28,47(79)46(78)61(27,60)8)56(82)96-53-45(95-55-49(81)63(84,23-68)25-89-55)42(77)43(31(18-66)90-53)93-54-48(80)62(83,22-67)24-88-54/h9,28-55,66-68,70-81,83-84H,10-25H2,1-8H3,(H,65,69)/t28-,29-,30+,31+,32+,33-,34+,35-,36+,37-,38-,39+,40+,41+,42-,43+,44+,45+,46-,47+,48-,49-,50-,51-,52-,53-,54+,55-,59-,60+,61-,62+,63+,64+/m0/s1

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InChIKey: LYLWZPIVCDQKOU-ZIBZWYIQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Entada rheedei Entada Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1382.504000000001

TPSA？: 500.8400000000002

MolLogP？: -5.741900000000001

Number of H-Donors: 18

Number of H-Acceptors: 31

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information