GD125829

Name:

6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 16-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-17-(hydroxymethyl)-7-(2-hydroxypropan-2-yl)-1,2,13,17-tetramethylpentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-4-carboxylate

Formula:

C58H96O27

Smiles:

CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C(C)(C)O)C4C4CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)C5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC(C)(O)C1CCC2(C(=O)O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0099252

AD50892

Formula: C29H48O5

Smiles:

CC(C)(O)C1CCC2(C(=O)O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.97
AlogP:	4.87	Num_rotatable_bonds:	3
MolWt:	476.7	Num_heavy_atoms:	34
TPSA:	97.99	NumAromaticRings:	0