GD027131

Name:

None

Formula:

C46H65O17N

Smiles:

C=C1[C@H](O)[C@]23CC[C@@H]4C(C(=O)O)(C(=O)O)C[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](OC(=O)CCc6ccccc6)[C@H]5NC(=O)CC(C)C)C[C@@]4(C)[C@H]2CC[C@@]1(O)C3

Aglycone:

C=C1C(O)C23CCC4C(C(=O)O)(C(=O)O)CC(O)CC4(C)C2CCC1(O)C3.CC(C)CC(N)=O.O=C(O)CCc1ccccc1

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL452653

AD02546

Formula: C20H28O7

Smiles:

C=C1C(O)C23CCC4C(C(=O)O)(C(=O)O)CC(O)CC4(C)C2CCC1(O)C3

HBA:	7	RingCount:	4
HBD:	5	FractionCSP3:	0.8
AlogP:	1.16	Num_rotatable_bonds:	2
MolWt:	380.44	Num_heavy_atoms:	27
TPSA:	135.29	NumAromaticRings:	0

AD02547

Formula: C5H11ON

Smiles:

CC(C)CC(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.8
AlogP:	0.52	Num_rotatable_bonds:	2
MolWt:	101.15	Num_heavy_atoms:	7
TPSA:	43.09	NumAromaticRings:	0

AD02548

Formula: C9H10O2

Smiles:

O=C(O)CCc1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.22
AlogP:	1.7	Num_rotatable_bonds:	3
MolWt:	150.18	Num_heavy_atoms:	11
TPSA:	37.3	NumAromaticRings:	1