GD002798

Name:

None

Formula:

C62H96O26N12

Smiles:

CCCC(CCC)C(=O)OC[C@@H]1O[C@H](N2C(N)NC[C@H]2[C@H](O)[C@@H]2NC(=O)[C@H]([C@H](O)[C@@H]3CNC(N)N3)NC(=O)[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc3)NC(=O)[C@H]([C@H](C)c3ccccc3)NC(=O)CNC(=O)[C@H](CO)NC2=O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

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.CCCC(CCC)C(=O)OC

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL607207

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

AD02630

Formula: C9H18O2

Smiles:

CCCC(CCC)C(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.89
AlogP:	2.38	Num_rotatable_bonds:	5
MolWt:	158.24	Num_heavy_atoms:	11
TPSA:	26.3	NumAromaticRings:	0