GD007558

Name:

None

Formula:

C86H158O26N4

Smiles:

CCCCCON=C1[C@H](C)[C@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@@H]3C[C@H](C)O[C@H](O[C@@H]4[C@H](C)[C@H](O[C@@H]5C[C@@](C)(OC)[C@H](O)[C@H](C)O5)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)C(=NOCCCCC)[C@H](C)C[C@]4(C)OC)[C@H]3O)[C@H]2O)[C@@](C)(OC)C[C@H]1C

Aglycone:

CCCCCON=C1C(C)CC(C)(OC)C(OC2OC(C)CC(N(C)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCCCCC)C(C)CC4(C)OC)C3O)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C

Sugarmoiety:

COC1(C)CC(O)OC(C)C1O.COC1(C)CC(O)OC(C)C1O

Other Identifiers

• CHEMBL3218946

AD06136

Formula: C70H130O20N4

Smiles:

CCCCCON=C1C(C)CC(C)(OC)C(OC2OC(C)CC(N(C)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCCCCC)C(C)CC4(C)OC)C3O)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C

HBA:	24	RingCount:	4
HBD:	8	FractionCSP3:	0.94
AlogP:	6.77	Num_rotatable_bonds:	23
MolWt:	1347.82	Num_heavy_atoms:	94
TPSA:	319.48	NumAromaticRings:	0