GD018681

Name:

None

Formula:

C51H77O14N

Smiles:

CCC(=O)N[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3C(C)=CC[C@@H]4C[C@H](C[C@]5(C=C[C@H](C)[C@H](C(C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@H]3C)[C@@]54O)C[C@H]2OC)C[C@H]1OC

Aglycone:

CCC(=O)NC1C(C)OC(O)CC1OC.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

Sugarmoiety:

COC1CC(O)OC(C)C1O

Other Identifiers

• CHEMBL385302

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

AD13136

Formula: C10H19O4N

Smiles:

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

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	0.9
AlogP:	0.02	Num_rotatable_bonds:	3
MolWt:	217.26	Num_heavy_atoms:	15
TPSA:	67.79	NumAromaticRings:	0