GD115188

Name:

None

Formula:

C53H62O16N6

Smiles:

Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(NC(=N)NC3CCCCC3)OC(=O)C(NCCC=O)C(=O)O)C(O)(CO)C2(O)C(O)CCCO)c1

Aglycone:

Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.N=C(NCOC(=O)C(NCCC=O)C(=O)O)NC1CCCCC1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.OCCCCO

Sugarmoiety:

OCC1(O)C(O)OC(O)C(O)C1(O)O

Other Identifiers

• CNP0437919

AD04556

Formula: C15H10O4

Smiles:

O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

HBA:	4	RingCount:	3
HBD:	2	FractionCSP3:	0.0
AlogP:	2.87	Num_rotatable_bonds:	1
MolWt:	254.24	Num_heavy_atoms:	19
TPSA:	70.67	NumAromaticRings:	3

AD09062

Formula: C4H10O2

Smiles:

OCCCCO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.25	Num_rotatable_bonds:	3
MolWt:	90.12	Num_heavy_atoms:	6
TPSA:	40.46	NumAromaticRings:	0

AD45036

Formula: C14H14ON2

Smiles:

Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1

HBA:	3	RingCount:	3
HBD:	2	FractionCSP3:	0.14
AlogP:	3.49	Num_rotatable_bonds:	1
MolWt:	226.28	Num_heavy_atoms:	17
TPSA:	40.95	NumAromaticRings:	3

AD45516

Formula: C14H24O5N4

Smiles:

N=C(NCOC(=O)C(NCCC=O)C(=O)O)NC1CCCCC1

HBA:	9	RingCount:	1
HBD:	5	FractionCSP3:	0.71
AlogP:	-0.43	Num_rotatable_bonds:	9
MolWt:	328.37	Num_heavy_atoms:	23
TPSA:	140.61	NumAromaticRings:	0