GD012548

Name:

None

Formula:

C68H90O25N2

Smiles:

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](OC)[C@@H]1Cc2cc3cc(O[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](O)[C@H](C)O5)[C@H](O)[C@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1

Aglycone:

COC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O

Other Identifiers

• CHEMBL4162655

AD09452

Formula: C37H38O10N2

Smiles:

COC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

HBA:	12	RingCount:	5
HBD:	6	FractionCSP3:	0.3
AlogP:	2.62	Num_rotatable_bonds:	11
MolWt:	670.72	Num_heavy_atoms:	49
TPSA:	191.72	NumAromaticRings:	4