GD011960

Name:

DURHAMYCIN B

Formula:

C56H82O25

Smiles:

CCC(C)c1c(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)cc2cc3c(c(O)c2c1O)C(=O)C(O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](OC(C)=O)[C@H](C)O2)[C@H](O)[C@H](C)O1)C(C(OC)C(=O)C(O)C(C)O)C3

Aglycone:

CCC(C)c1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2CC(O)OC(C)C2O)CC1OC1CC(O)C(O)C(C)O1.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O

Other Identifiers

• CHEMBL502099
• CNP0301863

AD07896

Formula: C18H20O5

Smiles:

CCC(C)c1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

HBA:	5	RingCount:	3
HBD:	4	FractionCSP3:	0.39
AlogP:	2.96	Num_rotatable_bonds:	2
MolWt:	316.35	Num_heavy_atoms:	23
TPSA:	97.99	NumAromaticRings:	2