GD033394

Name:

None

Formula:

C40H55O13N3

Smiles:

CC(=O)OC[C@@H]1O[C@H](OCc2cn([C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]5[C@H]4CC[C@]4(C)[C@H](C6=CC(=O)OC6)CC[C@@]54O)C3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC12CCC(n3cc(CO)nn3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL4463612
• CHEMBL4550901
• CHEMBL4592600

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

AD17763

Formula: C26H37O4N3

Smiles:

CC12CCC(n3cc(CO)nn3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

HBA:	7	RingCount:	6
HBD:	2	FractionCSP3:	0.81
AlogP:	3.57	Num_rotatable_bonds:	3
MolWt:	455.6	Num_heavy_atoms:	33
TPSA:	97.47	NumAromaticRings:	1