methyl 2-(1-hydroxybut-3-en-2-yl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,6H,7H,12H,12bH-indolo[2,3-a]quinolizine-3-carboxylate
AlkaPlorer ID: AK096521
Synonym: None
IUPAC Name: methyl (2S,12bS)-2-[(2R)-1-hydroxybut-3-en-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Structure
SMILES: C=C[C@@H](CO)[C@@H]1C[C@H]2C3=C(CCN2C=C1C(=O)OC)C1=C(C=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N3
InChI: InChI=1S/C27H34N2O9/c1-3-13(11-30)15-9-18-22-14(7-8-29(18)10-16(15)26(35)36-2)21-17(28-22)5-4-6-19(21)37-27-25(34)24(33)23(32)20(12-31)38-27/h3-6,10,13,15,18,20,23-25,27-28,30-34H,1,7-9,11-12H2,2H3/t13-,15-,18-,20+,23+,24-,25+,27+/m0/s1
InChIKey: USUGTFYUSIJKAR-OJIXHNPSSA-N
Reference
Six New Triterpenoid Saponins from the Root and Stem Bark of<i>Cephalanthus occidentalis</i>
PubChem CID: 162967453
LOTUS: LTS0142975
NPASS: NPC73771
Source
Properties Information
Molecule Weight: 530.5740000000002
TPSA？: 164.94
MolLogP？: 0.1170999999999998
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 5
Activities Information
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