GD024961

Name:

None

Formula:

C57H89O19N

Smiles:

CC=CC=C[C@@H]1O[C@](O)([C@H](CO[C@@H]2C[C@H](OC)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)C(=O)NCC=CC=C(C)C(OC)C(C)C(=O)CC(O)CC=CC=CC=CC(=O)O)C[C@H](O)C1(C)C

Aglycone:

CC=CC=CC1OC(O)(C(CO)C(=O)NCC=CC=C(C)C(OC)C(C)C(=O)CC(O)CC=CC=CC=CC(=O)O)CC(O)C1(C)C

Sugarmoiety:

COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL381960

AD16602

Formula: C36H53O10N

Smiles:

CC=CC=CC1OC(O)(C(CO)C(=O)NCC=CC=C(C)C(OC)C(C)C(=O)CC(O)CC=CC=CC=CC(=O)O)CC(O)C1(C)C

HBA:	11	RingCount:	1
HBD:	6	FractionCSP3:	0.53
AlogP:	3.33	Num_rotatable_bonds:	19
MolWt:	659.82	Num_heavy_atoms:	47
TPSA:	182.85	NumAromaticRings:	0