GD002395

Name:

Demycarosyl-3D-Î’-D-Digitoxosyl-Mithramycin

Formula:

C50H72O23

Smiles:

CO[C@@H]([C@H](O)C(C)=O)[C@@H]1Cc2cc3cc(O[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](O)[C@H](C)O5)[C@H](O)[C@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1

Aglycone:

COC(C(O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

Sugarmoiety:

CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.CC1OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC(O)C1O

Other Identifiers

• CHEMBL2152293
• CNP0081046

AD02291

Formula: C20H22O8

Smiles:

COC(C(O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

HBA:	8	RingCount:	3
HBD:	5	FractionCSP3:	0.4
AlogP:	0.95	Num_rotatable_bonds:	4
MolWt:	390.39	Num_heavy_atoms:	28
TPSA:	144.52	NumAromaticRings:	2