Spirosol-5-ene-3,12-diol; (3β,12β,22R,25R)-form, 3-O-[α-L-Rhamnopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-β-D-galactopyranoside]
AlkaPlorer ID: AK314060
Synonym: Alkaloid SN-e, 12β-Hydroxysolasonine
IUPAC Name: 2-[5-hydroxy-6-(hydroxymethyl)-2-(10-hydroxy-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-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(O)C3(C)C1C2C
InChI: InChI=1S/C45H73NO17/c1-18-8-11-45(46-15-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(49)44(25,30)5)58-42-39(62-40-36(55)34(53)31(50)20(3)57-40)38(33(52)28(17-48)60-42)61-41-37(56)35(54)32(51)27(16-47)59-41/h6,18-20,22-42,46-56H,7-17H2,1-5H3
InChIKey: CZFRCHHNOGJLJQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum lycocarpum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 900.0690000000002
TPSA？: 278.94
MolLogP？: -1.2420999999999909
Number of H-Donors: 11
Number of H-Acceptors: 18
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|