(2S,3S,4R,5R,6S)-2-{[(1S,2R,5S,10R,11S,12R,14S,15R)-12-hydroxy-2,15-dimethyl-14-[(1R)-1-[(2R)-1-methylazepan-2-yl]ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
AlkaPlorer ID: AK555930
Synonym: None
IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14S,15R,17R)-15-hydroxy-10,13-dimethyl-17-[1-(1-methylazepan-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: CC(C1CCCCCN1C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI: InChI=1S/C34H57NO7/c1-19(25-8-6-5-7-15-35(25)4)24-17-26(37)28-22-10-9-20-16-21(11-13-33(20,2)23(22)12-14-34(24,28)3)41-32-31(40)30(39)29(38)27(18-36)42-32/h9,19,21-32,36-40H,5-8,10-18H2,1-4H3/t19?,21-,22+,23-,24+,25?,26+,27+,28+,29+,30-,31+,32+,33-,34+/m0/s1
InChIKey: WCAHATSIQRKZEP-FVYCCCNISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria bucharica | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 591.8300000000002
TPSA？: 122.85000000000002
MolLogP？: 3.2318000000000007
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|