GD148985

Name:

2-({6-[(6-{4-[(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methylbutyl}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-16-yl)oxy]-4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C52H84O21

Smiles:

CCC1OC(OCC(C)CCC2=C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC43C)O2)C(O)C(O)C1O

Aglycone:

CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O.CCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0214376

AD01070

Formula: C27H42O3

Smiles:

CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.85
AlogP:	5.62	Num_rotatable_bonds:	4
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	49.69	NumAromaticRings:	0