Pregnane-3,12,14,17,20-pentol; (3β,5α,12β,14β,17βOH,20S)-form, 20-O-(2-Aminobenzoyl), 12-Ac, 3-O-[6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside]
AlkaPlorer ID: AK311032
Synonym: None
IUPAC Name: 1-[12-acetyloxy-3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14,17-dihydroxy-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(O)C(OC)C2O)C(C)O1
InChI: InChI=1S/C51H79NO17/c1-25-41(54)45(61-10)42(55)47(64-25)69-44-27(3)63-40(24-37(44)60-9)68-43-26(2)62-39(23-36(43)59-8)67-31-17-18-48(6)30(21-31)15-16-33-34(48)22-38(66-29(5)53)49(7)50(57,19-20-51(33,49)58)28(4)65-46(56)32-13-11-12-14-35(32)52/h11-14,25-28,30-31,33-34,36-45,47,54-55,57-58H,15-24,52H2,1-10H3
InChIKey: MJYQTHBEPNDXDD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Caralluma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 978.183
TPSA？: 242.61
MolLogP？: 4.181400000000007
Number of H-Donors: 5
Number of H-Acceptors: 18
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|