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Structure via PubChem · Public domain (PubChem)

EntityQ6817231· pop 6· linked from 274 articles

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ترکیب شیمیایی

Chemical data

Formula
C28H31NO10
Molecular weight
541.5 g/mol
IUPAC name
(1R,10R,12R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione
SMILES
C[C@@]1(C[C@H](C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)[C@@]6([C@@H]([C@H]([C@@H]([C@H](O5)O6)O)N(C)C)O)C)O)OC)O
InChIKey
LWYJUZBXGAFFLP-OCNCTQISSA-N
XLogP
0.8
Polar surface area
166 Ų
H-bond donors
5
H-bond acceptors
11
Formal charge
0

via PubChem

Drug data · ChEMBL

Max clinical phase
Phase 2
Molecule type
Small molecule

via ChEMBL · EBI

Wikidata facts

Mass
541.195
Show 3 more facts
chemical formula
C₂₈H₃₁NO₁₀
isomeric SMILES
C[C@]1(CC2=CC3=C(C(=C2[C@@H](C1)OC)O)C(=O)C4=C(C=C5C(=C4C3=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@]5(O6)C)O)N(C)C)O)O)O
canonical SMILES
CC1(CC2=CC3=C(C(=C2C(C1)OC)O)C(=O)C4=C(C=C5C(=C4C3=O)OC6C(C(C(C5(O6)C)O)N(C)C)O)O)O
Sources (2)

via Wikidata · CC0

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via Wikidata sitelinks · CC0