saponaceol A
AlkaPlorer ID: AK052644
Synonym: 'Saponaceol A'
IUPAC Name: [(2R,3R,5R,10S,12S,13R,14S,17R)-2,12-dihydroxy-17-[(2R,3R,6R)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (3R)-3-hydroxy-5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-5-oxopentanoate
Structure
SMILES: COC(=O)[C@H](CC1=CC=CC=C1)N=C(O)C[C@@](C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@H]2O)[C@@]1(C)[C@@H](O)C3
InChI: InChI=1S/C46H69NO11/c1-41(2)33-17-16-29-30(22-34(49)46(8)28(19-20-45(29,46)7)27-15-18-35(42(3,4)54)57-39(27)52)44(33,6)23-32(48)38(41)58-37(51)25-43(5,55)24-36(50)47-31(40(53)56-9)21-26-13-11-10-12-14-26/h10-14,27-28,31-35,38-39,48-49,52,54-55H,15-25H2,1-9H3,(H,47,50)/t27-,28-,31+,32-,33+,34+,35-,38+,39-,43-,44-,45+,46+/m1/s1
InChIKey: ZEGGEDOMPWZJBY-NYZXDWFWSA-N
Reference
Three Novel Crustulinol Esters, Saponaceols A-C, from Tricholoma saponaceum
PubChem CID: 162951863
LOTUS: LTS0132724
SuperNatural Ⅲ: SN0468060-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tricholoma saponaceum | Tricholoma | Tricholomataceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 812.0540000000001
TPSA？: 195.57
MolLogP？: 5.7456000000000085
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|