GD000242

Name:

None

Formula:

C42H71O14N

Smiles:

CC[C@@H]1C[C@H](C)[C@H](O)C=CC=CC[C@H](C)OC(=O)C[C@H](OC(C)=O)[C@H](OC)[C@H]1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O

Aglycone:

CC(C)CC(=O)O.CCC1CC(C)C(O)C=CC=CCC(C)OC(=O)CC(OC(C)=O)C(OC)C1O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CHEMBL92604

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD00282

Formula: C22H36O7

Smiles:

CCC1CC(C)C(O)C=CC=CCC(C)OC(=O)CC(OC(C)=O)C(OC)C1O

HBA:	7	RingCount:	1
HBD:	2	FractionCSP3:	0.73
AlogP:	2.55	Num_rotatable_bonds:	3
MolWt:	412.52	Num_heavy_atoms:	29
TPSA:	102.29	NumAromaticRings:	0