GD145861

Name:

Sf-837 A2

Formula:

C42H69O15N

Smiles:

CCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C=CC=CC(O)CC(C)OC(=O)CC(OC(=O)CC)C3OC)C(O)C2N(C)C)CC1(C)O

Aglycone:

CCC(=O)OC1CC(=O)OC(C)CC(O)C=CC=CC(C)CC(CC=O)C(O)C1OC.CCCC(=O)O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CNP0226111

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD45118

Formula: C23H36O8

Smiles:

CCC(=O)OC1CC(=O)OC(C)CC(O)C=CC=CC(C)CC(CC=O)C(O)C1OC

HBA:	8	RingCount:	1
HBD:	2	FractionCSP3:	0.7
AlogP:	2.11	Num_rotatable_bonds:	5
MolWt:	440.53	Num_heavy_atoms:	31
TPSA:	119.36	NumAromaticRings:	0