GD157097

Name:

3-[(3,4-dihydroxy-5,6-dimethyloxan-2-yl)oxy]-5-hydroxy-2-({14-hydroxy-15-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)oxan-4-yl acetate

Formula:

C49H80O17

Smiles:

CC(=O)OC1C(O)COC(OC2CCC34CC35CCC3(C)C(C6(C)CC(C(C)(C)O)CO6)C(O)CC3(C)C5CC(OC3OCC(O)C(O)C3O)C4C2(C)C)C1OC1OC(C)C(C)C(O)C1O

Aglycone:

CC(C)(O)C1COC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)C1

Sugarmoiety:

CC(=O)OC1C(O)COC(O)C1OC1OC(C)C(C)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

• CNP0129358

AD47958

Formula: C30H50O5

Smiles:

CC(C)(O)C1COC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)C1

HBA:	5	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	4.29	Num_rotatable_bonds:	2
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0