Marstomentoside C
AlkaPlorer ID: AK120279
Synonym: '(+)-Marstomentoside C'
IUPAC Name: [(1S)-1-[(3S,5S,8R,9S,10S,12R,13S,14S,17S)-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14,17-dihydroxy-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
InChI: InChI=1S/C57H81NO17/c1-31-47(60)51(67-9)48(61)53(70-31)75-50-33(3)69-46(29-42(50)66-8)74-49-32(2)68-45(28-41(49)65-7)72-38-21-22-54(5)37(26-38)18-19-39-40(54)27-43(73-44(59)20-17-35-14-11-10-12-15-35)55(6)56(63,23-24-57(39,55)64)34(4)71-52(62)36-16-13-25-58-30-36/h10-17,20,25,30-34,37-43,45-51,53,60-61,63-64H,18-19,21-24,26-29H2,1-9H3/b20-17+/t31-,32-,33-,34+,37+,38+,39-,40+,41+,42+,43-,45+,46+,47-,48-,49-,50-,51+,53+,54+,55-,56-,57+/m1/s1
InChIKey: FZQUCMSSDACPQV-PLJOZPCCSA-N
Reference
Marstomentosides O-T, Polyoxypregnane Glycosides from Marsdenia tomentosa.
PubChem CID: 162981428
LOTUS: LTS0170949
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marsdenia tomentosa | Marsdenia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1052.2650000000003
TPSA？: 229.48
MolLogP？: 5.687700000000008
Number of H-Donors: 4
Number of H-Acceptors: 18
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|