GD014826

Name:

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

Formula:

C51H74O24

Smiles:

CO[C@H](C(=O)[C@H](O)[C@H](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:

Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:

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

Other Identifiers

• CHEMBL2152292
• CHEMBL428597
• CNP0273968

AD00382

Formula: C15H14O5

Smiles:

Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

HBA:	5	RingCount:	3
HBD:	4	FractionCSP3:	0.27
AlogP:	1.75	Num_rotatable_bonds:	0
MolWt:	274.27	Num_heavy_atoms:	20
TPSA:	97.99	NumAromaticRings:	2