GD133674

Name:

None

Formula:

C85H137O40N

Smiles:

CCCCC(OC1OC(COC(C)=O)C(OC2OCC(O)C(OC3OC(CO)C(O)C(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C3O)C2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(O)C1O)C(CCCCCCCCCCC(=O)CCCCCCCCCCCCCCC(=O)N(C)C(C)C(=O)O)OC(C)=O

Aglycone:

CCCCC(O)C(CCCCCCCCCCC(=O)CCCCCCCCCCCCCCC(=O)N(C)C(C)C(=O)O)OC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OC(OC2C(OC3C(O)OC(O)C(O)C3O)OCC(O)C2OC2OC(CO)C(O)C(OC3OC(O)OC(OC(C)=O)C3OC(C)=O)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0455736

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD54089

Formula: C38H71O7N

Smiles:

CCCCC(O)C(CCCCCCCCCCC(=O)CCCCCCCCCCCCCCC(=O)N(C)C(C)C(=O)O)OC(C)=O

HBA:	8	RingCount:	0
HBD:	2	FractionCSP3:	0.89
AlogP:	9.33	Num_rotatable_bonds:	33
MolWt:	653.99	Num_heavy_atoms:	46
TPSA:	121.21	NumAromaticRings:	0