GD007692

Name:

None

Formula:

C80H142O26N4

Smiles:

C=CCON=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(=NOCC=C)[C@H](C)C[C@]4(C)O)[C@H]3O)[C@H]2O)[C@@](C)(O)C[C@H]1C

Aglycone:

C=CCON=C1C(C)CC(C)(O)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(=NOCC=C)C(C)CC4(C)O)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

• CHEMBL3218945

AD06235

Formula: C64H114O20N4

Smiles:

C=CCON=C1C(C)CC(C)(O)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(=NOCC=C)C(C)CC4(C)O)C3O)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C

HBA:	24	RingCount:	4
HBD:	10	FractionCSP3:	0.88
AlogP:	3.45	Num_rotatable_bonds:	17
MolWt:	1259.62	Num_heavy_atoms:	88
TPSA:	341.48	NumAromaticRings:	0