GD150440

Name:

1-(2-{[2-({[(3-butyl-4,5,6-trihydroxyoxan-2-yl)methyl]carbamothioyl}amino)ethyl]({2-[({[15,16,17,18-tetrahydroxy-14-(hydroxymethyl)-2,4,11,13-tetraoxatricyclo[10.2.2.2³,⁶]octadecan-5-yl]methyl}carbamothioyl)amino]ethyl})amino}ethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea

Formula:

C41H75O18N7S3

Smiles:

CCCCC1C(CNC(S)=NCCN(CCN=C(S)NCC2OC3OC4C(CO)OC(OCCCCC2C(O)C3O)C(O)C4O)CCN=C(S)NC2OC(CO)C(O)C(O)C2O)OC(O)C(O)C1O

Aglycone:

CNC(S)=NCCN(CCN=C(N)S)CCN=C(S)NCC1OC2OC3C(CO)OC(OCCCCC1C(O)C2O)C(O)C3O

Sugarmoiety:

CCCCC1C(O)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0344585

AD60095

Formula: C26H49O9N7S3

Smiles:

CNC(S)=NCCN(CCN=C(N)S)CCN=C(S)NCC1OC2OC3C(CO)OC(OCCCCC1C(O)C2O)C(O)C3O

HBA:	16	RingCount:	6
HBD:	9	FractionCSP3:	0.88
AlogP:	-3.0	Num_rotatable_bonds:	12
MolWt:	699.92	Num_heavy_atoms:	45
TPSA:	228.47	NumAromaticRings:	0