GD152158

Name:

4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 13-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

Formula:

C50H80O28

Smiles:

C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C3

Aglycone:

C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3

Sugarmoiety:

OCC1OC(OC2C(O)C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0212714

AD00064

Formula: C20H30O3

Smiles:

C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.85
AlogP:	4.16	Num_rotatable_bonds:	1
MolWt:	318.46	Num_heavy_atoms:	23
TPSA:	57.53	NumAromaticRings:	0