GD023890

Name:

None

Formula:

C52H81O17N

Smiles:

C=CC=CC(=O)NCCO[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5C6C[C@@H]7O[C@]8(CC[C@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

C=CC=CC(=O)NCCO.CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL218441

AD00005

Formula: C27H42O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.71	Num_rotatable_bonds:	0
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0

AD16019

Formula: C7H11O2N

Smiles:

C=CC=CC(=O)NCCO

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.29
AlogP:	-0.16	Num_rotatable_bonds:	4
MolWt:	141.17	Num_heavy_atoms:	10
TPSA:	49.33	NumAromaticRings:	0