GD156334

Name:

4-(methoxycarbonyl)-7-methyl-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-ethenyl-4-(2-oxoethyl)-2-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:

C49H62O27

Smiles:

C=CC1C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C3C2C)C1CC=O

Aglycone:

C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0317174

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

AD44121

Formula: C21H26O9

Smiles:

C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC=O

HBA:	9	RingCount:	3
HBD:	2	FractionCSP3:	0.57
AlogP:	0.82	Num_rotatable_bonds:	6
MolWt:	422.43	Num_heavy_atoms:	30
TPSA:	128.59	NumAromaticRings:	0