GD037019

Name:

None

Formula:

C64H97O24N7S2

Smiles:

COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(=O)CCSSCCC(=O)NC(CCCCNC(=O)[C@H](CCCCNC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)C(=O)O)CC2

Aglycone:

COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)CCSSCCC(=O)NC(CCCCNC(=O)C(CCCCNC(=O)CCCCO)NC(=O)CCCCO)C(=O)O)CC2

Sugarmoiety:

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

Other Identifiers

• CHEMBL4162961

AD23349

Formula: C48H71O14N5S2

Smiles:

COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)CCSSCCC(=O)NC(CCCCNC(=O)C(CCCCNC(=O)CCCCO)NC(=O)CCCCO)C(=O)O)CC2

HBA:	19	RingCount:	3
HBD:	8	FractionCSP3:	0.6
AlogP:	3.97	Num_rotatable_bonds:	34
MolWt:	1006.25	Num_heavy_atoms:	69
TPSA:	277.25	NumAromaticRings:	2