GD017896

Name:

None

Formula:

C54H86O18N2

Smiles:

CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](CCNc2ccc(OC(C)=O)cc2)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OC

Aglycone:

CCC1OC(=O)CC(O)C(C)C(O)C(CCNc2ccc(OC(C)=O)cc2)CC(C)C(=O)C=CC(C)=CC1CO

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

• CHEMBL216839

AD05364

Formula: C31H45O8N

Smiles:

CCC1OC(=O)CC(O)C(C)C(O)C(CCNc2ccc(OC(C)=O)cc2)CC(C)C(=O)C=CC(C)=CC1CO

HBA:	9	RingCount:	2
HBD:	4	FractionCSP3:	0.58
AlogP:	3.82	Num_rotatable_bonds:	7
MolWt:	559.7	Num_heavy_atoms:	40
TPSA:	142.39	NumAromaticRings:	1