Spirosol-5-en-3-ol; (3β,16β,22R,25R)-form, 3-O-[β-D-Xylopyranosyl-(1→4)-α-L-rhamnopyranosyl-(1→4)-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranoside]
AlkaPlorer ID: AK314098
Synonym: Incanumine
IUPAC Name: 2-[4,5-dihydroxy-6-[5-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OCC(O)C(O)C8O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2C
InChI: InChI=1S/C49H79NO19/c1-20-8-13-49(50-16-20)21(2)32-30(69-49)15-27-25-7-6-23-14-24(9-11-47(23,4)26(25)10-12-48(27,32)5)64-46-39(60)42(68-44-37(58)34(55)29(53)19-62-44)41(31(17-51)65-46)67-45-38(59)35(56)40(22(3)63-45)66-43-36(57)33(54)28(52)18-61-43/h6,20-22,24-46,50-60H,7-19H2,1-5H3
InChIKey: JUIQDBJRSFBVFU-UHFFFAOYSA-N
Reference
The Cytotoxic Principles of Solanum incanum
PubChem CID: 159581
CAS: 128585-03-5
LOTUS: LTS0139894
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum incanum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 986.1590000000004
TPSA？: 297.4
MolLogP？: -1.1104999999999894
Number of H-Donors: 11
Number of H-Acceptors: 20
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|