GD020969

Name:

None

Formula:

C58H98O33N12

Smiles:

CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(C)=O)CC[C@H](NC(C)=O)[C@H](C(O)C(O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1OCCCC(=O)N[C@H](CCCCN)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CO)C(=O)O

Aglycone:

CC(=O)NC1CCC(O)(C(C)=O)OC1C(O)C(O)CO.NCCCCC(NC(=O)CCCO)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3215439

AD12933

Formula: C27H48O12N10

Smiles:

NCCCCC(NC(=O)CCCO)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O

HBA:	22	RingCount:	0
HBD:	16	FractionCSP3:	0.67
AlogP:	-6.34	Num_rotatable_bonds:	26
MolWt:	704.74	Num_heavy_atoms:	49
TPSA:	380.08	NumAromaticRings:	0

AD14391

Formula: C12H21O7N

Smiles:

CC(=O)NC1CCC(O)(C(C)=O)OC1C(O)C(O)CO

HBA:	8	RingCount:	1
HBD:	5	FractionCSP3:	0.83
AlogP:	-2.34	Num_rotatable_bonds:	5
MolWt:	291.3	Num_heavy_atoms:	20
TPSA:	136.32	NumAromaticRings:	0