GD147726

Name:

6-{[10-(benzoyloxy)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid

Formula:

C61H92O26

Smiles:

CC1OC(OCC23C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC54C)C2CC(C)(C)C(OC(=O)c2ccccc2)C3O)C(O)C(O)C1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)c1ccccc1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0197391

AD46816

Formula: C37H54O6

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)c1ccccc1

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.76
AlogP:	5.92	Num_rotatable_bonds:	3
MolWt:	594.83	Num_heavy_atoms:	43
TPSA:	107.22	NumAromaticRings:	1