GD037487

Name:

None

Formula:

C41H51O16N

Smiles:

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N(C)C)[C@H](O[C@@H]2C[C@H](O)[C@H](O[C@@H]3CCC(=O)[C@H](C)O3)[C@H](C)O2)[C@H](C)O1

Aglycone:

CC1OC(O)CCC1=O.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N(C)C)C(O)C(C)O1

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• CHEMBL4785287

AD00014

Formula: C6H10O3

Smiles:

CC1OC(O)CCC1=O

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.83
AlogP:	0.07	Num_rotatable_bonds:	0
MolWt:	130.14	Num_heavy_atoms:	9
TPSA:	46.53	NumAromaticRings:	0

AD23309

Formula: C29H33O11N

Smiles:

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N(C)C)C(O)C(C)O1

HBA:	12	RingCount:	5
HBD:	5	FractionCSP3:	0.48
AlogP:	0.6	Num_rotatable_bonds:	6
MolWt:	571.58	Num_heavy_atoms:	41
TPSA:	183.29	NumAromaticRings:	2