GD018570

Name:

None

Formula:

C45H73O15N

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)OCCCCO[N+](=O)[O-])CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)OCCCCO[N+](=O)[O-])CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4071344

AD13079

Formula: C34H55O7N

Smiles:

CC1(C)CCC2(C(=O)OCCCCO[N+](=O)[O-])CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	8	RingCount:	5
HBD:	2	FractionCSP3:	0.91
AlogP:	6.65	Num_rotatable_bonds:	8
MolWt:	589.81	Num_heavy_atoms:	42
TPSA:	119.13	NumAromaticRings:	0