GD014681

Name:

None

Formula:

C55H89O18N5

Smiles:

CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(CCCCn3cnc4cccnc43)C(=O)O[C@]12C

Aglycone:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc4cccnc43)C(=O)OC12C

Sugarmoiety:

COC1(C)CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL1224604

AD10771

Formula: C41H65O10N5

Smiles:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc4cccnc43)C(=O)OC12C

HBA:	15	RingCount:	5
HBD:	2	FractionCSP3:	0.78
AlogP:	4.21	Num_rotatable_bonds:	10
MolWt:	788.0	Num_heavy_atoms:	56
TPSA:	175.01	NumAromaticRings:	2