GD022000

Name:

None

Formula:

C59H90O26N12

Smiles:

CC(C)CC(=O)O[C@H]1[C@H](O[C@@H]2[C@H](CO)O[C@H](Oc3ccc(C[C@@H]4NC(=O)[C@H]([C@H](C)c5ccccc5)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]5CNC(N)N5[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)NC(=O)[C@H]([C@H](O)[C@@H]5CNC(N)N5)NC4=O)cc3)[C@H](O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O

Aglycone:

CC(C)CC(=O)O.CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL606719

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD02629

Formula: C36H52O10N12

Smiles:

CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O

HBA:	22	RingCount:	5
HBD:	18	FractionCSP3:	0.5
AlogP:	-7.39	Num_rotatable_bonds:	9
MolWt:	812.89	Num_heavy_atoms:	58
TPSA:	355.68	NumAromaticRings:	2