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→6)-β-D-glucopyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside]
AlkaPlorer ID: AK311035
Synonym: None
IUPAC Name: 1-[12-acetyloxy-14,17-dihydroxy-3-[4-methoxy-5-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-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(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1
InChI: InChI=1S/C56H87NO23/c1-25-48(79-41-22-36(70-8)49(26(2)73-41)80-52-47(65)45(63)43(61)38(78-52)24-71-51-46(64)44(62)42(60)37(23-58)77-51)35(69-7)21-40(72-25)76-30-15-16-53(5)29(19-30)13-14-32-33(53)20-39(75-28(4)59)54(6)55(67,17-18-56(32,54)68)27(3)74-50(66)31-11-9-10-12-34(31)57/h9-12,25-27,29-30,32-33,35-49,51-52,58,60-65,67-68H,13-24,57H2,1-8H3
InChIKey: CUVNFCUYLBZHHR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Caralluma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1142.2960000000005
TPSA？: 352.99
MolLogP？: 0.3239000000000098
Number of H-Donors: 10
Number of H-Acceptors: 24
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|