GD106295

Name:

None

Formula:

C33H48O13N

Smiles:

C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H]([NH3+])[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)CC(=O)C[C@H](O)C[C@H]2O[C@H]2/C=C/C(=O)O1

Aglycone:

CC1CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC2OC2C=CC(=O)O1

Sugarmoiety:

CC1OC(O)C(O)C([NH3+])C1O

Other Identifiers

• ZINC000253387636

AD44144

Formula: C27H36O10

Smiles:

CC1CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC2OC2C=CC(=O)O1

HBA:	10	RingCount:	2
HBD:	5	FractionCSP3:	0.52
AlogP:	1.14	Num_rotatable_bonds:	1
MolWt:	520.58	Num_heavy_atoms:	37
TPSA:	174.12	NumAromaticRings:	0