GD000107

Name:

None

Formula:

C110H171O34N14

Smiles:

C[C@@H]1O[C@H](OCCNC(=O)CCC(=O)NCCCC[C@H](NC(=O)CCC(=O)NCCO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C(=O)N[C@H](CCCCNC(=O)[C@H](COCc2ccc(C(=O)c3ccccc3)cc2)NC(=O)CCC(=O)NCCO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCN2CCC(C)(C)C2=CC=CC2=[N+](C)c3ccccc3C2(C)C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

C[N+]1=C(C=CC=C2N(CCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)C(CCCCNC(=O)C(COCc3ccc(C(=O)c4ccccc4)cc3)NC(=O)CCC(=O)NCCO)NC(=O)C(CCCCNC(=O)CCC(=O)NCCO)NC(=O)CCC(=O)NCCO)CCC2(C)C)C(C)(C)c2ccccc21

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL434386

AD00134

Formula: C92H141O22N14

Smiles:

C[N+]1=C(C=CC=C2N(CCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)C(CCCCNC(=O)C(COCc3ccc(C(=O)c4ccccc4)cc3)NC(=O)CCC(=O)NCCO)NC(=O)C(CCCCNC(=O)CCC(=O)NCCO)NC(=O)CCC(=O)NCCO)CCC2(C)C)C(C)(C)c2ccccc21

HBA:	36	RingCount:	5
HBD:	15	FractionCSP3:	0.61
AlogP:	2.28	Num_rotatable_bonds:	70
MolWt:	1795.22	Num_heavy_atoms:	128
TPSA:	488.59	NumAromaticRings:	3