GD033516

Name:

None

Formula:

C40H59O13N

Smiles:

CC(=O)N[C@@H]1[C@H](OC(=O)CCCCCOC(=O)[C@@]2(C)CCC[C@@]3(C)[C@H]4CC[C@]5(C)C[C@]4(CC[C@@H]23)CC5=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC12CCC3C(CCC4C(C)(C(=O)OCCCCCC(=O)O)CCCC34C)(CC1=O)C2.COC(C)=O

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL4539969

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD16318

Formula: C26H40O5

Smiles:

CC12CCC3C(CCC4C(C)(C(=O)OCCCCCC(=O)O)CCCC34C)(CC1=O)C2

HBA:	5	RingCount:	4
HBD:	1	FractionCSP3:	0.88
AlogP:	5.55	Num_rotatable_bonds:	7
MolWt:	432.6	Num_heavy_atoms:	31
TPSA:	80.67	NumAromaticRings:	0