GD116726

Name:

None

Formula:

C41H63O14N4

Smiles:

CC(C)OC1C(OC2OC=C(C(=O)OC3CCCC3)C(C=CC3=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C3)C2C=C2CCCCC2)OC(CO)C(O)C1(O)O

Aglycone:

[NH2+]=C(NCCCO)NC1=C(C=CC2C(C(=O)OC3CCCC3)=COC(O)C2C=C2CCCCC2)CN(CCO)C=C1C(=O)O

Sugarmoiety:

CC(C)OC1C(O)OC(CO)C(O)C1(O)O

Other Identifiers

• CNP0439467

AD46409

Formula: C32H47O8N4

Smiles:

[NH2+]=C(NCCCO)NC1=C(C=CC2C(C(=O)OC3CCCC3)=COC(O)C2C=C2CCCCC2)CN(CCO)C=C1C(=O)O

HBA:	12	RingCount:	4
HBD:	8	FractionCSP3:	0.59
AlogP:	0.59	Num_rotatable_bonds:	12
MolWt:	615.75	Num_heavy_atoms:	44
TPSA:	186.41	NumAromaticRings:	0