GD108008

Name:

4-{14-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-5-en-6-yl}-2,5-dihydrofuran-2-one

Formula:

C36H52O13

Smiles:

CO[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC=C(C4=CC(=O)OC4)[C@@]6(C)CC[C@H]35)C2)[C@@H]1O

Aglycone:

CC12CCC(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23

Sugarmoiety:

COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• ZINC000252501915
• CNP0212184

AD07493

Formula: C23H30O4

Smiles:

CC12CCC(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.78
AlogP:	3.68	Num_rotatable_bonds:	1
MolWt:	370.49	Num_heavy_atoms:	27
TPSA:	59.06	NumAromaticRings:	0