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name Structure Reference Source Properties Activities Metabolism

1-[(9R)-15-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-10-yl]ethanone

AlkaPlorer ID: AK173336

Synonym: None

IUPAC Name: 1-[(6aR)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]ethanone

Structure

SMILES: COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CCN(C(C)=O)[C@@H]3CC4=CC=CC=C4C1=C23

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InChI: InChI=1S/C31H39NO13/c1-13(35)32-8-7-15-10-18(28(41-2)22-16-6-4-3-5-14(16)9-17(32)21(15)22)42-31-29(26(39)24(37)20(12-34)44-31)45-30-27(40)25(38)23(36)19(11-33)43-30/h3-6,10,17,19-20,23-27,29-31,33-34,36-40H,7-9,11-12H2,1-2H3/t17-,19-,20-,23-,24-,25+,26+,27-,29-,30+,31-/m1/s1

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InChIKey: YRHDIXXUFLBJEF-AYXKISFZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Tinospora cordifolia Tinospora Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 633.6470000000002

TPSA？: 208.07

MolLogP？: -1.6330999999999931

Number of H-Donors: 7

Number of H-Acceptors: 13

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information