(2R,3R,4S,5S,6R)-2-{[(1S,2R,5S,10S,11S,13R,15R)-2,15-dimethyl-13-[(1S)-1-[(2R,5S)-5-methylpiperidin-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: AK137978
Synonym: None
IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,16R)-10,13-dimethyl-16-[(1S)-1-[(2R,5S)-5-methylpiperidin-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: C[C@H]1CC[C@H]([C@@H](C)[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2)NC1
InChI: InChI=1S/C33H55NO6/c1-18-5-8-26(34-16-18)19(2)20-13-25-23-7-6-21-14-22(39-31-30(38)29(37)28(36)27(17-35)40-31)9-12-33(21,4)24(23)10-11-32(25,3)15-20/h6,18-20,22-31,34-38H,5,7-17H2,1-4H3/t18-,19-,20+,22-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33-/m0/s1
InChIKey: PDSOCDASQWSQKA-OEBHSXTGSA-N
Reference
Two steroidal alkaloid glycosides from Veratrum taliense
PubChem CID: 163043855
LOTUS: LTS0245630
SuperNatural Ⅲ: SN0282684-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum taliense | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 561.8040000000002
TPSA？: 111.41
MolLogP？: 3.774700000000002
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|