3(S)-Deoxypumiloside
AlkaPlorer ID: AK078810
Synonym: '', 'Deoxypumiloside', '3(R)-Deoxypumiloside', '(3R)-Deoxypumiloside'
IUPAC Name: (1R,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2,4,6,8,10,15-hexaen-14-one
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CC4=CC5=CC=CC=C5N=C4[C@H]3C[C@H]21
InChI: InChI=1S/C26H28N2O8/c1-2-14-15-8-18-20-13(7-12-5-3-4-6-17(12)27-20)9-28(18)24(33)16(15)11-34-25(14)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-7,11,14-15,18-19,21-23,25-26,29-32H,1,8-10H2/t14-,15+,18-,19-,21-,22+,23-,25+,26+/m1/s1
InChIKey: BNDDTTIRGZIQSE-URGBAVMWSA-N
Reference
Camptothecins and Two New Monoterpene Glucosides from Ophiorrhiza liukiuensis
PubChem CID: 11420564
LOTUS: LTS0223202
SuperNatural Ⅲ: SN0030085-04
NPASS: NPC116033
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ophiorrhiza liukiuensis | Ophiorrhiza | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 496.5160000000003
TPSA？: 141.81
MolLogP？: 0.4969000000000001
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|