GD117855

Name:

Enteridinine B

Formula:

C40H70O15

Smiles:

CCC(O)C(C)C1OC2(OC(C(C)C(=O)OC3CC(O)C(OC4CCC(OC5CC(C)(O)C(O)C(C)O5)C(C)O4)C(C)O3)C(C)C(O)C2C)C(C)C(O)C1C

Aglycone:

CC1OC(O)CCC1O.CCC(O)C(C)C1OC2(OC(C(C)C(=O)O)C(C)C(O)C2C)C(C)C(O)C1C

Sugarmoiety:

CC1OC(OC2C(O)CC(O)OC2C)CCC1O.COO

Other Identifiers

• CNP0202195

AD00171

Formula: C6H12O3

Smiles:

CC1OC(O)CCC1O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.14	Num_rotatable_bonds:	0
MolWt:	132.16	Num_heavy_atoms:	9
TPSA:	49.69	NumAromaticRings:	0

AD47051

Formula: C21H38O7

Smiles:

CCC(O)C(C)C1OC2(OC(C(C)C(=O)O)C(C)C(O)C2C)C(C)C(O)C1C

HBA:	7	RingCount:	2
HBD:	4	FractionCSP3:	0.95
AlogP:	1.87	Num_rotatable_bonds:	5
MolWt:	402.53	Num_heavy_atoms:	28
TPSA:	116.45	NumAromaticRings:	0