GD128782

Name:

4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl 6-{6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-5-hydroxy-2-methylhept-2-enoate

Formula:

C60H92O25

Smiles:

CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C)C(=O)Oc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1

Aglycone:

CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(=O)Oc1ccc(O)cc1

Sugarmoiety:

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

Other Identifiers

• CNP0308457

AD52169

Formula: C36H52O5

Smiles:

CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(=O)Oc1ccc(O)cc1

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.75
AlogP:	7.43	Num_rotatable_bonds:	6
MolWt:	564.81	Num_heavy_atoms:	41
TPSA:	86.99	NumAromaticRings:	1