GD008529

Name:

None

Formula:

C48H77O17N

Smiles:

CCC(=O)O[C@@H]1[C@H](O[C@H]2[C@H](CC=O)C[C@@H](C)[C@@H](OC(=O)CC)C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H]2OC)O[C@H](C)[C@H](O[C@@H]2C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H]1N(C)C

Aglycone:

CC(C)CC(=O)O.CCC(=O)O.CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(OC(C)=O)C(OC)C(O)C(CC=O)CC1C

Sugarmoiety:

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

Other Identifiers

• CHEMBL3251871

AD00155

Formula: C3H6O2

Smiles:

CCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	0.48	Num_rotatable_bonds:	1
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	37.3	NumAromaticRings:	0

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD06806

Formula: C25H38O9

Smiles:

CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(OC(C)=O)C(OC)C(O)C(CC=O)CC1C

HBA:	9	RingCount:	1
HBD:	1	FractionCSP3:	0.68
AlogP:	2.69	Num_rotatable_bonds:	6
MolWt:	482.57	Num_heavy_atoms:	34
TPSA:	125.43	NumAromaticRings:	0