GD123040

Name:

4-{6-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9,13-dimethyl-17-oxotetracyclo[11.3.1.0¹,¹⁰.0⁴,⁹]heptadecan-14-yl}-2,5-dihydrofuran-2-one

Formula:

C42H64O18

Smiles:

COC1C(O)C(OC2CCC3(C)C(CCC45CCC(C6=CC(=O)OC6)C(C)(CCC43)C5=O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(O)CCC13C)C2=O

Sugarmoiety:

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0293098

AD14558

Formula: C23H32O4

Smiles:

CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(O)CCC13C)C2=O

HBA:	4	RingCount:	5
HBD:	1	FractionCSP3:	0.83
AlogP:	3.81	Num_rotatable_bonds:	1
MolWt:	372.51	Num_heavy_atoms:	27
TPSA:	63.6	NumAromaticRings:	0