GD124484

Name:

None

Formula:

C40H59O14N4S4

Smiles:

CC(C)OC1C(OC2OC=C3C(=O)OC4CCCC4CSSC4CSSCC=CC2C3C=CC2=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C2)C4CO)OC(CO)C(O)C1(O)O

Aglycone:

[NH2+]=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSCC(SSCC3CCCC3OC4=O)C(CO)N(C=C1C(=O)O)C2

Sugarmoiety:

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

Other Identifiers

• CNP0446969

AD44991

Formula: C31H43O8N4S4

Smiles:

[NH2+]=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSCC(SSCC3CCCC3OC4=O)C(CO)N(C=C1C(=O)O)C2

HBA:	12	RingCount:	5
HBD:	8	FractionCSP3:	0.58
AlogP:	1.01	Num_rotatable_bonds:	6
MolWt:	727.97	Num_heavy_atoms:	47
TPSA:	186.41	NumAromaticRings:	0