GD000134

Name:

None

Formula:

C42H63O14N

Smiles:

CC=CC=C[C@@H]1O[C@](O)([C@H](CO[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)C(=O)NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)[C@H](O)[C@H](O)C1(C)C

Aglycone:

C=CC=CC.COC(C(C)=CC=CCNC(=O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1

Sugarmoiety:

CC1(C)C(O)OC(O)(O)C(O)C1O.CC1OC(O)CC(O)C1O

Other Identifiers

• CHEMBL450124

AD00163

Formula: C5H8

Smiles:

C=CC=CC

HBA:	0	RingCount:	0
HBD:	0	FractionCSP3:	0.2
AlogP:	1.75	Num_rotatable_bonds:	1
MolWt:	68.12	Num_heavy_atoms:	5
TPSA:	0.0	NumAromaticRings:	0

AD00164

Formula: C24H35O7N

Smiles:

COC(C(C)=CC=CCNC(=O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1

HBA:	8	RingCount:	1
HBD:	4	FractionCSP3:	0.5
AlogP:	1.91	Num_rotatable_bonds:	13
MolWt:	449.54	Num_heavy_atoms:	32
TPSA:	125.32	NumAromaticRings:	0