GD138994

Name:

2-[(5-hydroxy-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-propoxycyclopentyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C49H80O17

Smiles:

CCCOC1CC(C2(O)OC3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(OC8OC(C)C(O)C(O)C8O)C7O)CCC6(C)C5CCC4(C)C3C2C)CC1C

Aglycone:

CCCOC1CC(C2(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)CC1C

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0411491

AD56066

Formula: C31H50O4

Smiles:

CCCOC1CC(C2(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)CC1C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.94
AlogP:	6.1	Num_rotatable_bonds:	4
MolWt:	486.74	Num_heavy_atoms:	35
TPSA:	58.92	NumAromaticRings:	0