(1R,2R,5S,10S,11R,14S,15S,16R)-14-acetyl-10,11,14-trihydroxy-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-m
AlkaPlorer ID: AK532991
Synonym: None
IUPAC Name: [17-acetyl-8,14,17-trihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-[4-hydroxy-5-(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-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
Structure
SMILES: COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C6=CC=CN=C6)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)OC3C)OC2C)OC(C)C1O
InChI: InChI=1S/C52H77NO19/c1-25-43(58)36(63-8)22-42(64-25)72-46-28(4)67-41(21-35(46)57)71-45-27(3)66-40(20-34(45)56)70-44-26(2)65-39(19-33(44)55)68-32-12-13-48(6)31(18-32)11-14-51(61)37(48)23-38(69-47(59)30-10-9-17-53-24-30)49(7)50(60,29(5)54)15-16-52(49,51)62/h9-11,17,24-28,32-46,55-58,60-62H,12-16,18-23H2,1-8H3
InChIKey: UBAKOEYTWKHWJA-UHFFFAOYSA-N
Reference
Steroidal glycosides from the aerial part of Asclepias incarnata
PubChem CID: 162937397
LOTUS: LTS0067985
COCONUT: CNP0207613.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asclepias incarnata | Asclepias | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1020.1760000000002
TPSA？: 280.93999999999994
MolLogP？: 2.268600000000005
Number of H-Donors: 7
Number of H-Acceptors: 20
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|