2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0¹,?.0?,¹³.0¹?,¹?]pentadecan-12-yl 1H-pyrrole-2-carboxylate
AlkaPlorer ID: AK260560
Synonym: None
IUPAC Name: [2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
Structure
SMILES: CC(C)C1(O)C(OC(=O)C2=CC=CN2)C2(O)C3(C)CC4(O)OC5(C(O)C(CO)CCC35O)C2(O)C41C
InChI: InChI=1S/C25H35NO10/c1-12(2)22(32)17(35-16(29)14-6-5-9-26-14)23(33)18(3)11-21(31)19(22,4)25(23,34)24(36-21)15(28)13(10-27)7-8-20(18,24)30/h5-6,9,12-13,15,17,26-28,30-34H,7-8,10-11H2,1-4H3
InChIKey: KXWHVIGSKBPQQO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ryania speciosa | Ryania | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 509.5520000000004
TPSA？: 192.93
MolLogP？: -1.215199999999999
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|