GD119632

Name:

Saundersioside E

Formula:

C46H64O15

Smiles:

CC(C)=CC1C(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(OC(=O)c7ccc(O)cc7)C(O)C6O)CCC5(C)C4CCC3(C=O)C2C1C

Aglycone:

CC(C)=CC1C(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C=O)C2C1C.O=C(O)c1ccc(O)cc1

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0212997

AD02360

Formula: C7H6O3

Smiles:

O=C(O)c1ccc(O)cc1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	1.09	Num_rotatable_bonds:	1
MolWt:	138.12	Num_heavy_atoms:	10
TPSA:	57.53	NumAromaticRings:	1

AD47781

Formula: C27H40O4

Smiles:

CC(C)=CC1C(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C=O)C2C1C

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.81
AlogP:	4.65	Num_rotatable_bonds:	2
MolWt:	428.61	Num_heavy_atoms:	31
TPSA:	66.76	NumAromaticRings:	0