(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{2-[(5S,9S,16S)-8-[4-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)phenyl]-1,8-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-10(15),11,13-trien-12-yl]ethoxy}oxane-3,4,5-triol
AlkaPlorer ID: AK268246
Synonym: None
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[4-[(5S,9S,16S)-12-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,8-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-10(15),11,13-trien-8-yl]phenyl]ethoxy]oxane-3,4,5-triol
Structure
SMILES: OC[C@H]1O[C@@H](OCCC2=CC=C(N3CC[C@@H]4CCCN5C6=CC=C(CCO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C=C6[C@H]3[C@H]45)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C36H50N2O12/c39-17-25-29(41)31(43)33(45)35(49-25)47-14-10-19-3-6-22(7-4-19)37-13-9-21-2-1-12-38-24-8-5-20(16-23(24)28(37)27(21)38)11-15-48-36-34(46)32(44)30(42)26(18-40)50-36/h3-8,16,21,25-36,39-46H,1-2,9-15,17-18H2/t21-,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+/m0/s1
InChIKey: MHEYAGIDWYIEOD-XHKIFELJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Incarvillea mairei | Incarvillea | Bignoniaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 702.7980000000006
TPSA？: 205.24
MolLogP？: -1.0453999999999948
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|