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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-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[8.7.0.0²,⁷.

AlkaPlorer ID: AK239300

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-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-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](C)O2)[C@@H](C)O1

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InChI: InChI=1S/C48H71NO15/c1-25(50)32-14-17-48(54)46(32,6)37(62-44(52)29-11-10-18-49-24-29)23-36-45(5)15-13-31(19-30(45)12-16-47(36,48)53)61-38-21-34(56-8)42(27(3)59-38)64-40-22-35(57-9)43(28(4)60-40)63-39-20-33(55-7)41(51)26(2)58-39/h10-12,18,24,26-28,31-43,51,53-54H,13-17,19-23H2,1-9H3/t26-,27-,28-,31+,32+,33-,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,45+,46+,47+,48-/m1/s1

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InChIKey: UMMNCNAMGMPXAK-LZGYAJTBSA-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: 902.0880000000004

TPSA？: 200.01999999999995

MolLogP？: 4.580900000000006

Number of H-Donors: 3

Number of H-Acceptors: 16

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information