GD124289

Name:

None

Formula:

C68H105O27NS2

Smiles:

C=C(CC=CCC(=C)COC(=O)C(C)(O)CC1CCC(O)C2(C=C(C)CC(C(C)C=CC3CCC4(CCC5OC(C(O)CC(C)C6OC7(CCCCO7)CCC6C)C(=C)C(O)C5O4)O3)O2)O1)COC(=O)CC=CCCC(O)=NCC(O)CC(O)C(OS(=O)(=O)O)C(O)COS(=O)(=O)O

Aglycone:

C=C(CC=CCC(=C)COC(=O)C(C)(O)CC1CCC(O)C2(C=C(C)CC(C(C)C=CC3CCC4(CCC5OC(C(O)CC(C)C6OC7(CCCCO7)CCC6C)C(=C)C(O)C5O4)O3)O2)O1)COC(=O)CC=CCCC(O)=NCC(C)O

Sugarmoiety:

O=S(=O)(O)OCC(O)C(OS(=O)(=O)O)C(O)O

Other Identifiers

• CNP0446782

AD50200

Formula: C64H97O17N

Smiles:

C=C(CC=CCC(=C)COC(=O)C(C)(O)CC1CCC(O)C2(C=C(C)CC(C(C)C=CC3CCC4(CCC5OC(C(O)CC(C)C6OC7(CCCCO7)CCC6C)C(=C)C(O)C5O4)O3)O2)O1)COC(=O)CC=CCCC(O)=NCC(C)O

HBA:	18	RingCount:	7
HBD:	6	FractionCSP3:	0.73
AlogP:	8.73	Num_rotatable_bonds:	25
MolWt:	1152.47	Num_heavy_atoms:	82
TPSA:	250.95	NumAromaticRings:	0