GD133637

Name:

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

Formula:

C57H84O22

Smiles:

CC(=O)OCC1OC(OC2CC3C4(C)CC(OC(C)=O)C(C5(C)CCC(C(C)(C)O)O5)C4(C)CCC34CC43CCC(OC4OCC(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C(C)(C)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C1(C)CCC(C(C)(C)O)O1.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0168920

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD50485

Formula: C32H52O6

Smiles:

CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C1(C)CCC(C(C)(C)O)O1

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.97
AlogP:	5.01	Num_rotatable_bonds:	3
MolWt:	532.76	Num_heavy_atoms:	38
TPSA:	96.22	NumAromaticRings:	0