GD004632

Name:

None

Formula:

C50H76O14N2

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](NC(=O)NC)[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.CNC(=O)NC1C(C)OC(O)CC1OC

Sugarmoiety:

COC1CC(O)OC(C)C1O

Other Identifiers

• CHEMBL386391

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

AD04019

Formula: C9H18O4N2

Smiles:

CNC(=O)NC1C(C)OC(O)CC1OC

HBA:	6	RingCount:	1
HBD:	3	FractionCSP3:	0.89
AlogP:	-0.57	Num_rotatable_bonds:	2
MolWt:	218.25	Num_heavy_atoms:	15
TPSA:	79.82	NumAromaticRings:	0