GD138767

Name:

[4,5-bis(acetyloxy)-6-{5',7,9,13-tetramethyl-5,19-dioxaspiro[hexacyclo[10.9.0.0²,⁹.0⁴,⁸.0¹³,¹⁸.0¹⁸,²⁰]henicosane-6,2'-oxane]oxy}-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C53H76O21

Smiles:

CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC3CCC4(C)C5CCC6(C)C(CC7OC8(CCC(C)CO8)C(C)C76)C5CC5OC54C3)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC5OC56CC(O)CCC6(C)C4CCC3(C)C1C2C.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0299245

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

AD55985

Formula: C27H42O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CC5OC56CC(O)CCC6(C)C4CCC3(C)C1C2C

HBA:	4	RingCount:	7
HBD:	1	FractionCSP3:	1.0
AlogP:	4.93	Num_rotatable_bonds:	0
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	51.22	NumAromaticRings:	0