dammaran-3,6,12,20,25-pentol-6-O-rhamnopyranosyl-(1-2)-O-glucopyranoside

HCID 129010973

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 80952-74-5
Standard SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3C[C@]4(C)[C@H](C[C@@H](O)[C@@H]5[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]54C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]34)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey: XDQQABSJWYGGCC-GDNFBQHBSA-N
Molecular formula: C42H74O14
Average molar mass: 803 g/mol
Monoisotopic mass: 802.50785703

Overview

from stems & leaves of Panax ginseng; structure given in first source

Names & identifiers

Preferred name: dammaran-3,6,12,20,25-pentol-6-O-rhamnopyranosyl-(1-2)-O-glucopyranoside
IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
English name: dammaran-3,6,12,20,25-pentol-6-O-rhamnopyranosyl-(1-2)-O-glucopyranoside
Molecular formula: C42H74O14
Molecular weight: 803.02856

Names & synonyms

20-DprgDammaran-3,6,12,20,25-pentol-6-O-rhamnopyranosyl-(1-2)-O-glucopyranoside80952-74-5RefChem:13085020 (R)-Dammaran-3beta,6alpha,12beta,20,25-pentol-6-O-alpha-L-rhamnopyranosyl-(1-2)-O-beta-D-glucopyranosidebeta-D-Glucopyranoside, (3beta,6alpha,12beta,20R)-3,12,20,25-tetrahydroxydammaran-6-yl 2-O-(6-deoxy-alpha-L-mennopyranosyl)-ginsenoside Rf2

Database identifiers

CAS: 80952-74-5
PubChem CID: 129010973

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 239 Å²
Hydrogen bond donors: 10
Hydrogen bond acceptors: 14
Rotatable bonds: 10
Heavy atoms: 56
Formal charge: 0
Complexity: 1,380

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…