GD000367

Name:

None

Formula:

C58H79O21N13S2

Smiles:

CC(=O)OC[C@@H]1O[C@H](OC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCSSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C1CSSCCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)N1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL2303836

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

AD00415

Formula: C44H61O12N13S2

Smiles:

NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C1CSSCCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)N1

HBA:	25	RingCount:	4
HBD:	17	FractionCSP3:	0.48
AlogP:	-4.61	Num_rotatable_bonds:	17
MolWt:	1028.18	Num_heavy_atoms:	71
TPSA:	415.05	NumAromaticRings:	2