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-cymaropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside]
AlkaPlorer ID: AK311033
Synonym: None
IUPAC Name: 1-[12-acetyloxy-14,17-dihydroxy-3-[5-[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-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(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1
InChI: InChI=1S/C64H101NO25/c1-29-53(87-47-26-42(76-10)54(30(2)80-47)88-48-27-43(77-11)55(31(3)81-48)89-60-52(71)57(78-12)56(32(4)82-60)90-59-51(70)50(69)49(68)44(28-66)86-59)41(75-9)25-46(79-29)85-36-19-20-61(7)35(23-36)17-18-38-39(61)24-45(84-34(6)67)62(8)63(73,21-22-64(38,62)74)33(5)83-58(72)37-15-13-14-16-40(37)65/h13-16,29-33,35-36,38-39,41-57,59-60,66,68-71,73-74H,17-28,65H2,1-12H3
InChIKey: RGENXJRGXQMUSG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Caralluma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1284.494
TPSA？: 349.45000000000005
MolLogP？: 2.540700000000012
Number of H-Donors: 8
Number of H-Acceptors: 26
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|