GD036073

Name:

None

Formula:

C47H78O18N12S

Smiles:

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)CS)C(C)C)[C@H](C)O)C(=O)N[C@H](CCC(=O)NCCOCCOC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)C(=O)N[C@H](C(=O)N[C@H](C)C(N)=O)[C@H](C)O

Aglycone:

COCCOCCNC(=O)CCC(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(N)CS)C(C)C)C(C)O)C(C)C)C(=O)NC(C(=O)NC(C)C(N)=O)C(C)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4279469

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD22784

Formula: C39H70O13N10S

Smiles:

COCCOCCNC(=O)CCC(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(N)CS)C(C)C)C(C)O)C(C)C)C(=O)NC(C(=O)NC(C)C(N)=O)C(C)O

HBA:	23	RingCount:	1
HBD:	13	FractionCSP3:	0.77
AlogP:	-4.72	Num_rotatable_bonds:	28
MolWt:	919.11	Num_heavy_atoms:	63
TPSA:	352.04	NumAromaticRings:	0