Molecules/(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(1S)-1-hydroxy-3-[(2R)-4-methylideneoxan-2-yl]propyl]-3,5-dimethyl-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(1S)-1-hydroxy-3-[(2R)-4-methylideneoxan-2-yl]propyl]-3,5-dimethyl-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(1S)-1-hydroxy-3-[(2R)-4-methylideneoxan-2-yl]propyl]-3,5-dimethyl-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
Molecular Identity
(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(1S)-1-hydroxy-3-[(2R)-4-methylideneoxan-2-yl]propyl]-3,5-dimethyl-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(1S)-1-hydroxy-3-[(2R)-4-methylideneoxan-2-yl]propyl]-3,5-dimethyl-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
PubChem CID: 73010394
2D Structure
Properties
C30H46O7
Molecular Formula
518.70
Molecular Weight
g/mol
518.3244
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
97.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
823
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC(CC(C2C(O2)CC(OC(=O)C=CCC3C=CCC(C1)O3)C(CCC4CC(=C)CCO4)O)O)CIsomeric SMILES
SMILES: C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(C1)C)O)[C@H](CC[C@@H]4CC(=C)CCO4)OSynonyms(1)
LLM
Data from PubChem (NCBI)
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Molecular Structure
(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(1S)-1-hydroxy-3-[(2R)-4-methylideneoxan-2-yl]propyl]-3,5-dimethyl-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
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Drug Network
Trials and conditions connected to (1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(1S)-1-hydroxy-3-[(2R)-4-methylideneoxan-2-yl]propyl]-3,5-dimethyl-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
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