GD007801

Name:

None

Formula:

C94H153O44N19

Smiles:

CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCC=COC(=O)NCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCNC(=O)OCC=CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](CCNC(=O)OCC=CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=O)OCC=CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCNC(=O)CC[C@H](C(=O)NCCC(N)=O)NC1=O

Aglycone:

CC1NC(=O)C(CCNC(=O)OCC=CCO)NC(=O)C(NC(=O)OC(C)(C)C)CCCCNC(=O)CCC(C(=O)NCCC(N)=O)NC(=O)C(CCNC(=O)OC=CCO)NC(=O)C(C(C)C)NC(=O)C(CCNC(=O)OCC=CCO)NC(=O)C(CCNC(=O)OCC=CCO)NC1=O

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

• CHEMBL391689

AD06315

Formula: C62H101O24N15

Smiles:

CC1NC(=O)C(CCNC(=O)OCC=CCO)NC(=O)C(NC(=O)OC(C)(C)C)CCCCNC(=O)CCC(C(=O)NCCC(N)=O)NC(=O)C(CCNC(=O)OC=CCO)NC(=O)C(C(C)C)NC(=O)C(CCNC(=O)OCC=CCO)NC(=O)C(CCNC(=O)OCC=CCO)NC1=O

HBA:	39	RingCount:	1
HBD:	20	FractionCSP3:	0.63
AlogP:	-4.36	Num_rotatable_bonds:	29
MolWt:	1440.57	Num_heavy_atoms:	101
TPSA:	577.56	NumAromaticRings:	0