GD008774

Name:

TRIOXACARCIN A

Formula:

C42H52O20

Smiles:

COc1c2c(c(O)c3c4c(c(C)cc13)[C@@H]1O[C@]3(C(OC)OC)O[C@H]1[C@](O[C@@H]1C[C@H](O)[C@](O)(C(C)=O)[C@H](C)O1)(O4)[C@@]31CO1)C(=O)[C@H](O)C[C@H]2O[C@@H]1C[C@@](C)(O)[C@H](OC(C)=O)[C@H](C)O1

Aglycone:

COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C31CO1)C(=O)C(O)CC2O

Sugarmoiety:

CC(=O)C1(O)C(O)CC(O)OC1C.CC(=O)OC1C(C)OC(O)CC1(C)O

Other Identifiers

• CHEMBL1171076
• CNP0341246

AD06962

Formula: C25H26O12

Smiles:

COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C31CO1)C(=O)C(O)CC2O

HBA:	12	RingCount:	7
HBD:	4	FractionCSP3:	0.56
AlogP:	0.48	Num_rotatable_bonds:	4
MolWt:	518.47	Num_heavy_atoms:	37
TPSA:	165.9	NumAromaticRings:	2