GD002202

Name:

None

Formula:

C54H80O12N2

Smiles:

C[C@@H]1O[C@H](OCC=C2CC[C@@H]3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@H]4[C@H](O)C[C@]23C)C[C@@H]2CC[C@@H]3[C@@H]4CCC(=CCO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@@]4(C)C[C@H](O)[C@H]3[C@@]2(C)C7)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC12CC(O)C3C(CCC4Cc5nc6c(nc5CC43C)CC3CCC4C5CCC(=CCO)C5(C)CC(O)C4C3(C)C6)C1CCC2=CCO

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1917193

AD02130

Formula: C42H60O4N2

Smiles:

CC12CC(O)C3C(CCC4Cc5nc6c(nc5CC43C)CC3CCC4C5CCC(=CCO)C5(C)CC(O)C4C3(C)C6)C1CCC2=CCO

HBA:	6	RingCount:	9
HBD:	4	FractionCSP3:	0.81
AlogP:	6.17	Num_rotatable_bonds:	2
MolWt:	656.95	Num_heavy_atoms:	48
TPSA:	106.7	NumAromaticRings:	1