GD009128

Name:

None

Formula:

C53H85O18N3

Smiles:

C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](NC(=O)C(N)CCCCN)[C@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@@H]2C(=O)O)C[C@@H](O)[C@@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1O

Aglycone:

CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O.NCCCCC(N)C(N)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL527091

AD02755

Formula: C41H62O14

Smiles:

CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O

HBA:	14	RingCount:	2
HBD:	10	FractionCSP3:	0.61
AlogP:	1.89	Num_rotatable_bonds:	1
MolWt:	778.93	Num_heavy_atoms:	55
TPSA:	254.9	NumAromaticRings:	0

AD07194

Formula: C6H15ON3

Smiles:

NCCCCC(N)C(N)=O

HBA:	4	RingCount:	0
HBD:	6	FractionCSP3:	0.83
AlogP:	-1.07	Num_rotatable_bonds:	5
MolWt:	145.21	Num_heavy_atoms:	10
TPSA:	95.13	NumAromaticRings:	0