GD118211

Name:

antonioside e

Formula:

C69H110O33

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(COC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(CO)C4CCC3(C)C1(C)C(O)C2O

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:

OCC1OC(OC2C(O)COC(OCC3OC(O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0440921

AD02268

Formula: C40H62O9

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)C(O)C2O

HBA:	9	RingCount:	5
HBD:	5	FractionCSP3:	0.8
AlogP:	5.03	Num_rotatable_bonds:	6
MolWt:	686.93	Num_heavy_atoms:	49
TPSA:	153.75	NumAromaticRings:	0