GD152612

Name:

[3,5-bis(acetyloxy)-4-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-methoxyoxan-2-yl]oxy}-6-{[4,5-bis(acetyloxy)-6-{[4-(acetyloxy)-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-en-1-yl)-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-16-yl]oxy}oxan-3-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C66H94O27

Smiles:

C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(OC4OCC(OC6OC(COC(C)=O)C(OC(C)=O)C(OC7OC(COC(C)=O)C(OC(C)=O)C(OC)C7OC(C)=O)C6OC(C)=O)C(OC(C)=O)C4OC(C)=O)C5(C)C)C2(C)CC(OC(C)=O)C13

Aglycone:

C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(OC(C)=O)C13.COC(C)=O.COC(C)=O

Sugarmoiety:

COC1C(OC(C)=O)C(COC(C)=O)OC(OC2OC(O)OC(OC3COC(O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0142685

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

AD51117

Formula: C32H48O5

Smiles:

C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(OC(C)=O)C13

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.81
AlogP:	6.54	Num_rotatable_bonds:	5
MolWt:	512.73	Num_heavy_atoms:	37
TPSA:	72.83	NumAromaticRings:	0