GD122119

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'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxan-3-yl]oxy}-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C87H124O41

Smiles:

CC(=O)OCC1OC(OC2C(C)OC(OC3C(OC(C)=O)C(COC(C)=O)OC(OC4CCC5(C)C(CCC6C5CCC5(C)C6CC6OC7(CCC(C)CO7)C(C)C65)C4)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)OC1CC3C4CCC5CC(O)CCC5(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

• CNP0060248

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

AD01572

Formula: C27H44O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	1.0
AlogP:	5.79	Num_rotatable_bonds:	0
MolWt:	416.65	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0