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name Structure Reference Source Properties Activities Metabolism

(2R,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(1S,2R,5S,7S,10R,11S,14R,15S,16R,17S,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-yl]peroxy}oxan-3-yl]oxy}-5-

AlkaPlorer ID: AK186125

Synonym: None

IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5S,7S,10R,11S,14R,15S,16R,17S,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl]peroxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: C[C@H]1CC[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](OO[C@@H]7O[C@H](CO)[C@H](O[C@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@H]5CC[C@@]34C)N2C1

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InChI: InChI=1S/C51H85NO22/c1-20-5-8-27-21(2)33-28(52(27)15-20)14-26-24-7-6-22-13-23(9-11-50(22,3)25(24)10-12-51(26,33)4)73-74-48-42(65)39(62)43(32(19-56)69-48)70-49-45(72-47-41(64)38(61)35(58)30(17-54)67-47)44(36(59)31(18-55)68-49)71-46-40(63)37(60)34(57)29(16-53)66-46/h20-49,53-65H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45+,46+,47-,48-,49+,50+,51+/m0/s1

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InChIKey: KBYRLPVIBYNPNS-CJGCBXSVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Solanum commersonii Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1064.2260000000003

TPSA？: 349.30000000000007

MolLogP？: -3.03669999999998

Number of H-Donors: 13

Number of H-Acceptors: 23

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information