GD003491

Name:

None

Formula:

C113H183O26N29

Smiles:

CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)OC[C@H](OC(=O)CCCCCN(CCCNC(=N)N)CCCNC(=N)N)[C@H](OC(=O)CCCCCN(CCCNC(=N)N)CCCNC(=N)N)[C@H](OC(=O)CCCCCN(CCCNC(=N)N)CCCNC(=N)N)[C@H](CO)OC(=O)CCCCCN(CCCNC(=N)N)CCCNC(=N)N)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Aglycone:

CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCC=O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C.N=C(N)NCCCN(CCCCCC=O)CCCNC(=N)N.N=C(N)NCCCN(CCCCCC=O)CCCNC(=N)N.N=C(N)NCCCN(CCCCCC=O)CCCNC(=N)N.N=C(N)NCCCN(CCCCCC=O)CCCNC(=N)N

Sugarmoiety:

OCC(OO)C(OO)C(OO)C(COO)OO

Other Identifiers

• CHEMBL3219248
• CHEMBL3304002

AD03177

Formula: C51H55O16N

Smiles:

CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCC=O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

HBA:	17	RingCount:	7
HBD:	3	FractionCSP3:	0.45
AlogP:	4.27	Num_rotatable_bonds:	14
MolWt:	937.99	Num_heavy_atoms:	68
TPSA:	244.43	NumAromaticRings:	3

AD03178

Formula: C14H31ON7

Smiles:

N=C(N)NCCCN(CCCCCC=O)CCCNC(=N)N

HBA:	8	RingCount:	0
HBD:	8	FractionCSP3:	0.79
AlogP:	-0.21	Num_rotatable_bonds:	14
MolWt:	313.45	Num_heavy_atoms:	22
TPSA:	144.11	NumAromaticRings:	0