GD147400

Name:

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

Formula:

C35H50O20

Smiles:

C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C=C(C(=O)OC)OC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC(O)C(C)=O

Aglycone:

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

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0259325

AD59034

Formula: C23H30O10

Smiles:

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

HBA:	10	RingCount:	3
HBD:	3	FractionCSP3:	0.61
AlogP:	0.57	Num_rotatable_bonds:	7
MolWt:	466.48	Num_heavy_atoms:	33
TPSA:	148.82	NumAromaticRings:	0