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name Structure Reference Source Properties Activities Metabolism

(1R,2R,5S,10S,11R,14S,15S,16R)-14-acetyl-10,11,14-trihydroxy-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-m

AlkaPlorer ID: AK189840

Synonym: None

IUPAC Name: [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-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-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[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@]4(O)CC[C@@]3(O)C(C)=O)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/C55H83NO19/c1-28-46(58)36(63-8)22-43(67-28)73-48-30(3)69-45(24-38(48)65-10)75-49-31(4)70-44(25-39(49)66-11)74-47-29(2)68-42(23-37(47)64-9)71-35-15-16-51(6)34(21-35)14-17-54(61)40(51)26-41(72-50(59)33-13-12-20-56-27-33)52(7)53(60,32(5)57)18-19-55(52,54)62/h12-14,20,27-31,35-49,58,60-62H,15-19,21-26H2,1-11H3/t28-,29-,30-,31-,35+,36-,37+,38-,39+,40-,41-,42+,43+,44+,45+,46-,47-,48-,49-,51+,52-,53-,54+,55-/m1/s1

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InChIKey: ZANZUZKNPKKTQM-GDFQYTBMSA-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: 1062.257

TPSA？: 247.9399999999999

MolLogP？: 4.230900000000009

Number of H-Donors: 4

Number of H-Acceptors: 20

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information