GD131075

Name:

6-acetyl-14-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-8-[(2-methylbutanoyl)oxy]-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-9-yl benzoate

Formula:

C53H78O19

Smiles:

CCC(C)C(=O)OC1C(OC(=O)c2ccccc2)C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(OC)C5O)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C12C

Aglycone:

CCC(C)C(=O)OC1C(OC(=O)c2ccccc2)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O

Other Identifiers

• CNP0316366

AD53110

Formula: C33H44O7

Smiles:

CCC(C)C(=O)OC1C(OC(=O)c2ccccc2)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12C

HBA:	7	RingCount:	6
HBD:	1	FractionCSP3:	0.73
AlogP:	5.27	Num_rotatable_bonds:	6
MolWt:	552.71	Num_heavy_atoms:	40
TPSA:	102.43	NumAromaticRings:	1