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name Structure Reference Source Properties Activities Metabolism

(1R,2R,5S,10S,11R,14S,15S,16R)-14-acetyl-5-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-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-y

AlkaPlorer ID: AK215043

Synonym: None

IUPAC Name: [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-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-8,14,17-trihydroxy-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]1[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3[C@@H](OC)C[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)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/C55H83NO20/c1-27-43(58)48(67-11)44(59)50(71-27)76-47-30(4)70-42(24-37(47)66-10)75-46-29(3)69-41(23-36(46)65-9)74-45-28(2)68-40(22-35(45)64-8)72-34-15-16-51(6)33(21-34)14-17-54(62)38(51)25-39(73-49(60)32-13-12-20-56-26-32)52(7)53(61,31(5)57)18-19-55(52,54)63/h12-14,20,26-30,34-48,50,58-59,61-63H,15-19,21-25H2,1-11H3/t27-,28-,29-,30-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45-,46-,47-,48+,50+,51+,52-,53-,54+,55-/m1/s1

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InChIKey: JCQJHINDNGQIKA-XJSOMTRKSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Araujia sericifera Araujia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1078.256

TPSA？: 268.17

MolLogP？: 3.201700000000012

Number of H-Donors: 5

Number of H-Acceptors: 21

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information