GD146529

Name:

2-(hydroxymethyl)-6-{[9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-10-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-2-yl]oxy}oxane-3,4,5-triol

Formula:

C42H68O13

Smiles:

CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(OC3OC(CO)C(O)C(O)C3O)CC45C)C2(C)CO)C(O)C(O)C1O

Aglycone:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0295454

AD00452

Formula: C30H48O4

Smiles:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	4	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	5.1	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	69.92	NumAromaticRings:	0