GD150777

Name:

2-[(4-hydroxy-6-{[6-hydroxy-9,13-dimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C50H82O22

Smiles:

CC(CCC1(O)CC2C(CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)CC2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)O1

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0179292

AD60188

Formula: C26H42O4

Smiles:

CC(CO)CCC1(O)CC2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)O1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.92
AlogP:	4.42	Num_rotatable_bonds:	4
MolWt:	418.62	Num_heavy_atoms:	30
TPSA:	69.92	NumAromaticRings:	0