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name Structure Reference Source Properties Activities Metabolism

(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(1S,2R,5S,10R,11S,12R,14R,15R)-12-hydroxy-2,15-dimethyl-14-[(1R)-1-[(2S)-1-methylazepan-2-yl]ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethy

AlkaPlorer ID: AK113938

Synonym: None

IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[[(3S,8R,9S,10R,13R,14S,15R,17R)-15-hydroxy-10,13-dimethyl-17-[(1R)-1-[(2S)-1-methylazepan-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: C[C@H]([C@H]1C[C@@H](O)[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H]1CCCCCN1C

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InChI: InChI=1S/C40H67NO12/c1-20(26-8-6-5-7-15-41(26)4)25-17-27(44)30-23-10-9-21-16-22(11-13-39(21,2)24(23)12-14-40(25,30)3)50-37-35(49)33(47)36(29(19-43)52-37)53-38-34(48)32(46)31(45)28(18-42)51-38/h9,20,22-38,42-49H,5-8,10-19H2,1-4H3/t20-,22+,23-,24+,25-,26+,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38+,39+,40-/m1/s1

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InChIKey: KVKFDZZDNTYFKI-XHDGZYQPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Fritillaria bucharica Fritillaria Liliaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 753.9709999999993

TPSA？: 202.0

MolLogP？: 1.0560000000000034

Number of H-Donors: 8

Number of H-Acceptors: 13

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information