Pregnane-3,12,14,17,20-pentol; (3β,5α,12β,14β,17βOH,20S)-form, 20-O-(2-Aminobenzoyl), 12-Ac, 3-O-[β-D-glucopyranosyl-(1→4)-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside]
AlkaPlorer ID: AK311034
Synonym: None
IUPAC Name: 1-[12-acetyloxy-14,17-dihydroxy-3-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl 2-aminobenzoate
Structure
SMILES: COC1CC(OC2CCC3(C)C(CCC4C3CC(OC(C)=O)C3(C)C(O)(C(C)OC(=O)C5=CC=CC=C5N)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1
InChI: InChI=1S/C57H89NO22/c1-26-47(78-42-24-38(69-9)48(27(2)72-42)79-53-46(64)50(70-10)49(28(3)73-53)80-52-45(63)44(62)43(61)39(25-59)77-52)37(68-8)23-41(71-26)76-32-17-18-54(6)31(21-32)15-16-34-35(54)22-40(75-30(5)60)55(7)56(66,19-20-57(34,55)67)29(4)74-51(65)33-13-11-12-14-36(33)58/h11-14,26-29,31-32,34-35,37-50,52-53,59,61-64,66-67H,15-25,58H2,1-10H3
InChIKey: HIPRLPOINXGDFN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Caralluma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1140.324
TPSA？: 321.76
MolLogP？: 2.005600000000009
Number of H-Donors: 8
Number of H-Acceptors: 23
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|