Spirosol-5-ene-3,21-diol; (3β,22R,25R)-form, 3-O-[β-D-Xylopyranosyl-(1→2)-α-L-rhamnopyranosyl-(1→4)-[α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranoside]
AlkaPlorer ID: AK314064
Synonym: 21-Hydroxysycophantine
IUPAC Name: None
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OCC(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CO
InChI: InChI=1S/C50H81NO20/c1-20-8-13-50(51-16-20)28(17-52)32-30(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)66-47-43(70-45-38(60)35(57)33(55)21(2)64-45)40(62)42(31(18-53)67-47)69-46-39(61)36(58)41(22(3)65-46)68-44-37(59)34(56)29(54)19-63-44/h6,20-22,24-47,51-62H,7-19H2,1-5H3
InChIKey: SMBYSYACRDVBTA-UHFFFAOYSA-N
Reference
CAS: 188342-01-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum sycophanta | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1016.1850000000004
TPSA？: 317.63
MolLogP？: -1.7495999999999865
Number of H-Donors: 12
Number of H-Acceptors: 21
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|