GD152555

Name:

[5-acetyl-4-(acetyloxy)-6-{[5-(acetyloxy)-6-[(acetyloxy)methyl]-4-{[3,4-bis(acetyloxy)-6-methyl-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-2-{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}oxan-3-yl]oxy}-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C87H122O42

Smiles:

CC(=O)OCC1OC(OC2C(C)OC(OC3C(OC(C)=O)C(COC(C)=O)OC(OC4CCC5(C)C6CCC7(C)C(CC8OC9(CCC(C)CO9)C(C)C87)C6CC6OC65C4)C3OC3OC(COC(C)=O)C(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C(OC(C)=O)C3C(C)=O)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.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OC(OC2C(O)OC(OC3C(O)OC(O)OC3OC3OC(C)C(OC4OC(O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(C(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0388912

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