GD034501

Name:

None

Formula:

C59H96O26N2

Smiles:

CC(=O)C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@]21C)[C@]1(C)CC[C@H](O[C@@H]2OC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(C)(C)[C@H]1CC3

Aglycone:

CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3

Sugarmoiety:

CC(=O)NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3NC(C)=O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CHEMBL4070611

AD21930

Formula: C26H42O2

Smiles:

CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3

HBA:	2	RingCount:	4
HBD:	1	FractionCSP3:	0.88
AlogP:	6.32	Num_rotatable_bonds:	3
MolWt:	386.62	Num_heavy_atoms:	28
TPSA:	37.3	NumAromaticRings:	0