GD036888

Name:

None

Formula:

C61H86O22N2

Smiles:

COC(=O)N[C@@H]1[C@H](C)O[C@H](O[C@@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@H](O[C@@H]5C[C@H](O[C@@H]6CC[C@H](O[C@@H]7C[C@H](O)[C@H](O)[C@H](C)O7)[C@H](C)O6)[C@H](OC(C)=O)[C@H](C)O5)[C@H](C)C[C@H](C)[C@H]4[C@@]3(C)C(=O)C3=C(O)[C@@]4(CC(C=O)=C[C@H](O)[C@H]4C=C2C)OC3=O)C[C@]1(C)[N+](=O)[O-]

Aglycone:

CC1OC(O)CCC1O.COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[N+](=O)[O-]

Sugarmoiety:

CC(=O)OC1C(C)OC(O)CC1OC1CCC(O)C(C)O1.OO

Other Identifiers

• CHEMBL4126593

AD00171

Formula: C6H12O3

Smiles:

CC1OC(O)CCC1O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.14	Num_rotatable_bonds:	0
MolWt:	132.16	Num_heavy_atoms:	9
TPSA:	49.69	NumAromaticRings:	0

AD00172

Formula: C41H54O13N2

Smiles:

COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[N+](=O)[O-]

HBA:	15	RingCount:	6
HBD:	4	FractionCSP3:	0.66
AlogP:	4.21	Num_rotatable_bonds:	5
MolWt:	782.88	Num_heavy_atoms:	56
TPSA:	221.06	NumAromaticRings:	0