GD003447

Name:

None

Formula:

C51H83O16N5

Smiles:

CCNC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](CC=O)C[C@@H](C)[C@@H](O)CN(C)CCC[C@@H](CC=Cc4ccc(N)nc4)OC(=O)C[C@@H](OC(=O)CC)[C@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@]1(C)OC(=O)CC

Aglycone:

CCC(=O)O.CCC(=O)OC1CC(=O)OC(CC=Cc2ccc(N)nc2)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC.CCNC(=O)O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CHEMBL1091018

AD00155

Formula: C3H6O2

Smiles:

CCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	0.48	Num_rotatable_bonds:	1
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	37.3	NumAromaticRings:	0

AD03139

Formula: C30H47O8N3

Smiles:

CCC(=O)OC1CC(=O)OC(CC=Cc2ccc(N)nc2)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC

HBA:	11	RingCount:	2
HBD:	4	FractionCSP3:	0.67
AlogP:	2.38	Num_rotatable_bonds:	8
MolWt:	577.72	Num_heavy_atoms:	41
TPSA:	161.51	NumAromaticRings:	1

AD03140

Formula: C3H7O2N

Smiles:

CCNC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.67
AlogP:	0.27	Num_rotatable_bonds:	1
MolWt:	89.09	Num_heavy_atoms:	6
TPSA:	49.33	NumAromaticRings:	0