3,18-Dihydroxylanosta-8,22,24-trien-26-oic acid; (3β,22E,24E)-form, N-(Tetrahydro-4R,5R-dimethyl-2-oxo-3S-furanyl)amide, 3-O-[α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside]
AlkaPlorer ID: AK296266
Synonym: Mussaendoside Q
IUPAC Name: None
Structure
SMILES: CC(=CC=CC(C)C1CCC2(C)C3=C(CCC12CO)C1(C)CCC(OC2OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(C)(C)C1CC3)C(O)=NC1C(=O)OC(C)C1C
InChI: InChI=1S/C60H95NO23/c1-25(12-11-13-26(2)51(74)61-38-27(3)28(4)76-52(38)75)31-16-20-59(10)33-14-15-36-57(7,8)37(18-19-58(36,9)32(33)17-21-60(31,59)24-64)81-55-50(47(73)48(35(23-63)80-55)82-53-45(71)42(68)39(65)29(5)77-53)84-56-49(44(70)41(67)34(22-62)79-56)83-54-46(72)43(69)40(66)30(6)78-54/h11-13,25,27-31,34-50,53-56,62-73H,14-24H2,1-10H3,(H,61,74)
InChIKey: AAGKUIHVUGOTOT-UHFFFAOYSA-N
Reference
CAS: 161407-77-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mussaenda pubescens | Mussaenda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1198.404000000001
TPSA？: 375.49
MolLogP？: 0.4661000000000128
Number of H-Donors: 13
Number of H-Acceptors: 23
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|