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name Structure Reference Source Properties Activities Metabolism

(1R,2R,5S,10S,11R,14R,15S,16R)-14-acetyl-10,11-dihydroxy-5-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methy

AlkaPlorer ID: AK129281

Synonym: None

IUPAC Name: [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate

Structure

SMILES: CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)C3=CC=CN=C3)[C@]3(C)[C@H](C(C)=O)CC[C@@]34O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1

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InChI: InChI=1S/C55H83NO18/c1-28(57)36-16-19-55(61)53(36,7)42(71-51(59)33-13-12-20-56-27-33)26-41-52(6)17-15-35(21-34(52)14-18-54(41,55)60)70-43-23-38(63-9)48(30(3)67-43)73-45-25-40(65-11)50(32(5)69-45)74-46-24-39(64-10)49(31(4)68-46)72-44-22-37(62-8)47(58)29(2)66-44/h12-14,20,27,29-32,35-50,58,60-61H,15-19,21-26H2,1-11H3/t29-,30-,31-,32-,35+,36+,37-,38+,39-,40+,41-,42-,43+,44+,45+,46+,47-,48-,49-,50-,52+,53+,54+,55-/m1/s1

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InChIKey: FKAUVIFTTGMCST-JOVPPKENSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Cynanchum caudatum Cynanchum Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1046.2580000000005

TPSA？: 227.70999999999992

MolLogP？: 5.1160000000000085

Number of H-Donors: 3

Number of H-Acceptors: 19

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information