(1R,2R,5S,10S,11R,14R,15S,16R)-14-acetyl-10,11-dihydroxy-5-{[(2R,4S,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methy
AlkaPlorer ID: AK440808
Synonym: None
IUPAC Name: [(3S,8R,9R,10R,12S,13S,14S,17S)-17-acetyl-8,14-dihydroxy-3-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6S)-4-hydroxy-5-[(2R,4R,5S,6S)-4-hydroxy-5-[(2R,4R,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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]2[C@H](O)C[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@H]4[C@H](O)C[C@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@]7(O)[C@@H]6C[C@H](OC(=O)C6=CC=CN=C6)[C@]6(C)[C@@H](C(C)=O)CC[C@]67O)C5)O[C@@H]4C)C[C@@H]3O)O[C@H]2C)O[C@@H](C)[C@H]1O
InChI: InChI=1S/C52H77NO18/c1-25(54)33-13-16-52(61)50(33,7)39(68-48(59)30-10-9-17-53-24-30)23-38-49(6)14-12-32(18-31(49)11-15-51(38,52)60)67-40-19-34(55)45(27(3)64-40)69-41-20-35(56)46(28(4)65-41)70-42-21-36(57)47(29(5)66-42)71-43-22-37(62-8)44(58)26(2)63-43/h9-11,17,24,26-29,32-47,55-58,60-61H,12-16,18-23H2,1-8H3/t26-,27+,28-,29-,32-,33+,34+,35-,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-,47+,49-,50-,51+,52-/m0/s1
InChIKey: LAGSYIHWUWLKLY-BGHTXQCGSA-N
Reference
Steroidal glycosides from the aerial part of Asclepias incarnata
PubChem CID: 163194125
LOTUS: LTS0110240
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asclepias incarnata | Asclepias | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1004.177
TPSA？: 260.71
MolLogP？: 3.1537000000000064
Number of H-Donors: 6
Number of H-Acceptors: 19
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|