GD032812

Name:

methyl 7-(acetyloxy)-3-hydroxy-9-methyl-9-(4-methyl-5-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}penta-1,3-dien-1-yl)-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-4-ene-4-carboxylate

Formula:

C29H38O14

Smiles:

COC(=O)C1=CC[C@]2(OC(C)=O)[C@@H]3CC[C@]2(C[C@H]1O)C(=O)O[C@]3(C)C=CC=C(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

COC(=O)C1=CCC2(OC(C)=O)C3CCC2(CC1O)C(=O)OC3(C)C=CC=C(C)C(=O)O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL225533
• CNP0079356

AD20996

Formula: C23H28O9

Smiles:

COC(=O)C1=CCC2(OC(C)=O)C3CCC2(CC1O)C(=O)OC3(C)C=CC=C(C)C(=O)O

HBA:	9	RingCount:	3
HBD:	2	FractionCSP3:	0.57
AlogP:	1.84	Num_rotatable_bonds:	5
MolWt:	448.47	Num_heavy_atoms:	32
TPSA:	136.43	NumAromaticRings:	0