GD021446

Name:

None

Formula:

C50H77O15N

Smiles:

CCC(C)[C@@H]1O[C@@]2(CC(O)[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](NC(C)=O)[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(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C.COC1CC(O)OC(C)C1NC(C)=O

Sugarmoiety:

COC1CC(O)OC(C)C1O

Other Identifiers

• CHEMBL268085

AD03276

Formula: C9H17O4N

Smiles:

COC1CC(O)OC(C)C1NC(C)=O

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	0.89
AlogP:	-0.37	Num_rotatable_bonds:	2
MolWt:	203.24	Num_heavy_atoms:	14
TPSA:	67.79	NumAromaticRings:	0

AD08649

Formula: C34H50O9

Smiles:

CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C

HBA:	9	RingCount:	5
HBD:	4	FractionCSP3:	0.74
AlogP:	3.5	Num_rotatable_bonds:	2
MolWt:	602.77	Num_heavy_atoms:	43
TPSA:	134.91	NumAromaticRings:	0