GD028784

Name:

None

Formula:

C49H80O13N2

Smiles:

COC(=O)CCN1CCN(C(=O)[C@@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@@]2(C)CC3)CC1

Aglycone:

COC(=O)CCN1CCN(C(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C2(C)CC3)CC1

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3427598

AD18768

Formula: C38H62O5N2

Smiles:

COC(=O)CCN1CCN(C(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C2(C)CC3)CC1

HBA:	7	RingCount:	6
HBD:	2	FractionCSP3:	0.89
AlogP:	5.83	Num_rotatable_bonds:	5
MolWt:	626.92	Num_heavy_atoms:	45
TPSA:	90.31	NumAromaticRings:	0