GD002311

Name:

None

Formula:

C67H112O26N2

Smiles:

COC(=O)[C@@H]1[C@H](O)C[C@]2(O)C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN)[C@H]3O)C[C@H]1O2

Aglycone:

COC(=O)C1C(O)CC2(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O2.NCCOCCOCCOCCOCCOCCOCCOCCOCCC(N)=O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3785191

AD02217

Formula: C42H64O14

Smiles:

COC(=O)C1C(O)CC2(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O2

HBA:	14	RingCount:	2
HBD:	9	FractionCSP3:	0.62
AlogP:	1.98	Num_rotatable_bonds:	1
MolWt:	792.96	Num_heavy_atoms:	56
TPSA:	243.9	NumAromaticRings:	0

AD02218

Formula: C19H40O9N2

Smiles:

NCCOCCOCCOCCOCCOCCOCCOCCOCCC(N)=O

HBA:	11	RingCount:	0
HBD:	4	FractionCSP3:	0.95
AlogP:	-1.05	Num_rotatable_bonds:	26
MolWt:	440.53	Num_heavy_atoms:	30
TPSA:	142.95	NumAromaticRings:	0