GD031165

Name:

None

Formula:

C47H75O13N

Smiles:

COC(=O)[C@@H]1CCCN1C(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2

Aglycone:

COC(=O)C1CCCN1C(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2

Sugarmoiety:

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

Other Identifiers

• CHEMBL3427597

AD20096

Formula: C36H57O5N

Smiles:

COC(=O)C1CCCN1C(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2

HBA:	6	RingCount:	6
HBD:	2	FractionCSP3:	0.89
AlogP:	6.29	Num_rotatable_bonds:	3
MolWt:	583.85	Num_heavy_atoms:	42
TPSA:	87.07	NumAromaticRings:	0