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Marstomentoside T

AlkaPlorer ID: AK032679

Synonym: 'Marstomentoside D', '(+)-Marstomentoside T', '(+)-Marstomentoside D'

IUPAC Name: [(1S)-1-[(3S,5S,8R,9S,10S,12R,13S,14S,17S)-14,17-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 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]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5C[C@@H](OC(=O)/C=C/C5=CC=CC=C5)[C@]5(C)[C@](O)([C@H](C)OC(=O)C7=CC=CN=C7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C63H91NO22/c1-32-53(84-48-29-43(75-8)54(33(2)78-48)85-59-52(70)56(76-9)55(34(3)79-59)86-58-51(69)50(68)49(67)44(31-65)82-58)42(74-7)28-47(77-32)81-39-21-22-60(5)38(26-39)18-19-40-41(60)27-45(83-46(66)20-17-36-14-11-10-12-15-36)61(6)62(72,23-24-63(40,61)73)35(4)80-57(71)37-16-13-25-64-30-37/h10-17,20,25,30,32-35,38-45,47-56,58-59,65,67-70,72-73H,18-19,21-24,26-29,31H2,1-9H3/b20-17+/t32-,33-,34-,35+,38+,39+,40-,41+,42+,43+,44-,45-,47+,48+,49-,50+,51-,52-,53-,54-,55-,56-,58+,59+,60+,61-,62-,63+/m1/s1

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InChIKey: TZCBQXDCYJMOEP-RAFYOBQMSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Marsdenia tomentosa Marsdenia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1214.4060000000006

TPSA？: 308.63

MolLogP？: 3.511900000000009

Number of H-Donors: 7

Number of H-Acceptors: 23

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information