GD146359

Name:

Saundersioside H

Formula:

C47H68O15

Smiles:

COc1ccc(C(=O)OC2C(C)OC(OC3C(OC4CCC5(C)C(=CCC6C5CCC5(CO)C6CC6OC(O)C(C=C(C)C)C(C)C65)C4)OC(CO)C(O)C3O)C(O)C2O)cc1

Aglycone:

CC(C)=CC1C(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(CO)C2C1C.COc1ccc(C(=O)O)cc1

Sugarmoiety:

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

Other Identifiers

• CNP0199416

AD01329

Formula: C8H8O3

Smiles:

COc1ccc(C(=O)O)cc1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.12
AlogP:	1.39	Num_rotatable_bonds:	2
MolWt:	152.15	Num_heavy_atoms:	11
TPSA:	46.53	NumAromaticRings:	1

AD49810

Formula: C27H42O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.85
AlogP:	4.44	Num_rotatable_bonds:	2
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	69.92	NumAromaticRings:	0