GD003739

Name:

None

Formula:

C50H78O13N2

Smiles:

CCC(C)[C@@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](NN(C)C)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2

Aglycone:

CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.COC1CC(O)OC(C)C1NN(C)C

Sugarmoiety:

COC1CC(O)OC(C)C1O

Other Identifiers

• CHEMBL411838

AD00521

Formula: C34H48O8

Smiles:

CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2

HBA:	8	RingCount:	5
HBD:	3	FractionCSP3:	0.68
AlogP:	4.31	Num_rotatable_bonds:	2
MolWt:	584.75	Num_heavy_atoms:	42
TPSA:	114.68	NumAromaticRings:	0

AD03353

Formula: C9H20O3N2

Smiles:

COC1CC(O)OC(C)C1NN(C)C

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.44	Num_rotatable_bonds:	3
MolWt:	204.27	Num_heavy_atoms:	14
TPSA:	53.96	NumAromaticRings:	0