GD156164

Name:

[3,4,5-tris(acetyloxy)-6-{2-methylidene-4-[11,14,16-tris(acetyloxy)-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]butoxy}oxan-2-yl]methyl acetate

Formula:

C48H68O18

Smiles:

C=C(CCC1(OC)OC2CC3C4CC=C5CC(OC(C)=O)CC(OC(C)=O)C5(C)C4C(OC(C)=O)CC3(C)C2C1C)COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(OC(C)=O)CC(OC(C)=O)C5(C)C4C(OC(C)=O)CC3(C)C2C1C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0150338

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

AD61867

Formula: C34H50O9

Smiles:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(OC(C)=O)CC(OC(C)=O)C5(C)C4C(OC(C)=O)CC3(C)C2C1C

HBA:	9	RingCount:	5
HBD:	1	FractionCSP3:	0.79
AlogP:	4.9	Num_rotatable_bonds:	8
MolWt:	602.77	Num_heavy_atoms:	43
TPSA:	117.59	NumAromaticRings:	0