(1R,2R,5R,10R,11S,14S,15S,16R)-14-acetyl-10,11-dihydroxy-5-{[(2R,4R,5R,6R)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-m
AlkaPlorer ID: AK414006
Synonym: None
IUPAC Name: [17-acetyl-8,14-dihydroxy-3-[5-[4-hydroxy-5-[4-hydroxy-5-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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: COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C3=CC=CN=C3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1
InChI: InChI=1S/C59H89NO23/c1-27(62)35-14-17-59(70)57(35,7)42(79-54(68)32-11-10-18-60-25-32)24-41-56(6)15-13-34(19-33(56)12-16-58(41,59)69)77-45-22-38(71-8)52(30(4)75-45)82-44-21-37(64)50(28(2)74-44)80-43-20-36(63)51(29(3)73-43)81-46-23-39(72-9)53(31(5)76-46)83-55-49(67)48(66)47(65)40(26-61)78-55/h10-12,18,25,28-31,34-53,55,61,63-67,69-70H,13-17,19-24,26H2,1-9H3
InChIKey: IQDIAXAEBOLMKZ-UHFFFAOYSA-N
Reference
Steroidal glycosides from the aerial part of Asclepias incarnata
PubChem CID: 162893090
LOTUS: LTS0153722
COCONUT: CNP0160196.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asclepias incarnata | Asclepias | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1180.3450000000005
TPSA？: 328.86
MolLogP？: 1.6320000000000106
Number of H-Donors: 8
Number of H-Acceptors: 24
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|