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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,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,15-dimethyltetracyclo[8.7.0.0

AlkaPlorer ID: AK253229

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,5S,6S)-5-hydroxy-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](C)O2)[C@@H](C)O1

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InChI: InChI=1S/C48H71NO16/c1-25-40(51)32(56-7)20-38(59-25)64-42-27(3)61-39(22-34(42)58-9)65-41-26(2)60-37(21-33(41)57-8)62-31-13-14-44(5)30(19-31)12-15-47(54)35(44)23-36(63-43(52)29-11-10-18-49-24-29)45(6)46(53,28(4)50)16-17-48(45,47)55/h10-12,18,24-27,31-42,51,53-55H,13-17,19-23H2,1-9H3/t25-,26+,27+,31-,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,44-,45+,46+,47-,48+/m0/s1

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InChIKey: KGBKRGOQFYYJML-KTOCMDRPSA-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: 918.0870000000002

TPSA？: 220.25

MolLogP？: 3.6958000000000046

Number of H-Donors: 4

Number of H-Acceptors: 17

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information