(2S,3R,4S,5R)-2-{[(1S,2S,4S,12R,16R,18S,21R)-8-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxy-4,6,12,17,17-pentamethyl-9-azahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosa-5(10),6,8,13-tetraen-18-yl]oxy}oxane-3,4,5-triol
AlkaPlorer ID: AK145840
Synonym: None
IUPAC Name: (2S,3R,4S,5R)-2-[[(1S,2S,4S,12R,16R,18S,21R)-8-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxy-4,6,12,17,17-pentamethyl-9-azahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosa-5(10),6,8,13-tetraen-18-yl]oxy]oxane-3,4,5-triol
Structure
SMILES: CC1=CC([C@H](O)C(C)(C)O)=NC2=C1[C@@]1(C)C[C@H](O)[C@@]34C[C@@]35CC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]5CC=C4[C@]1(C)C2
InChI: InChI=1S/C35H51NO8/c1-17-12-18(28(41)31(4,5)42)36-19-13-32(6)22-9-8-21-30(2,3)24(44-29-27(40)26(39)20(37)15-43-29)10-11-34(21)16-35(22,34)23(38)14-33(32,7)25(17)19/h9,12,20-21,23-24,26-29,37-42H,8,10-11,13-16H2,1-7H3/t20-,21+,23+,24+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1
InChIKey: VZCHDTSLPKIGFC-NFLRNOLISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actaea cimicifuga | Actaea | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 613.7920000000001
TPSA？: 152.73
MolLogP？: 2.74602
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|