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name Structure Reference Source Properties Activities Metabolism

(1R,2R,5R,10R,11S,14S,15S,16R)-14-acetyl-10,11-dihydroxy-5-{[(2R,4R,5R,6R)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-m

AlkaPlorer ID: AK414008

Synonym: None

IUPAC Name: [(3R,8R,9R,10R,12R,13S,14S,17S)-17-acetyl-8,14-dihydroxy-3-[(2R,4R,5R,6R)-5-[(2S,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1

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InChI: InChI=1S/C59H89NO23/c1-27(62)35-14-17-59(70)57(35,7)42(79-54(68)32-11-10-18-60-25-32)24-41-56(6)15-13-34(19-33(56)12-16-58(41,59)69)77-45-22-38(71-8)52(30(4)75-45)82-44-21-37(64)50(28(2)74-44)80-43-20-36(63)51(29(3)73-43)81-46-23-39(72-9)53(31(5)76-46)83-55-49(67)48(66)47(65)40(26-61)78-55/h10-12,18,25,28-31,34-53,55,61,63-67,69-70H,13-17,19-24,26H2,1-9H3/t28-,29-,30-,31-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44+,45+,46+,47+,48-,49+,50-,51-,52-,53-,55-,56+,57+,58-,59+/m1/s1

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InChIKey: IQDIAXAEBOLMKZ-XBQVZQODSA-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: 1180.3450000000005

TPSA？: 328.86

MolLogP？: 1.6320000000000106

Number of H-Donors: 8

Number of H-Acceptors: 24

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information