GD017039

Name:

None

Formula:

C54H78O17NF

Smiles:

CC1OC(O[C@@H]2C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@H](C(=O)O)[C@H](C2)O3)C(O)C(NCc2ccc(F)cc2)C1O

Aglycone:

CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O.NCc1ccc(F)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL267396

AD00702

Formula: C41H62O14

Smiles:

CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(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

AD12206

Formula: C7H8NF

Smiles:

NCc1ccc(F)cc1

HBA:	1	RingCount:	1
HBD:	2	FractionCSP3:	0.14
AlogP:	1.28	Num_rotatable_bonds:	1
MolWt:	125.15	Num_heavy_atoms:	9
TPSA:	26.02	NumAromaticRings:	1