GD132021

Name:

2-({2-[5-(14-hydroxy-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl)-5-methyloxolan-3-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C47H78O19

Smiles:

CC(C)(OC1OC(CO)C(O)C(O)C1O)C1COC(C)(C2C(O)CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)C1

Aglycone:

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

Sugarmoiety:

OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0289151

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