GD037064

Name:

Papulacandin A

Formula:

C47H66O16

Smiles:

CCCCCC=CC=CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@]3(OCc4cc(O)cc(O)c43)[C@H](O)[C@H]2OC(=O)C=CC=CC[C@H](O)C(C)=CC=CCC[C@H](C)CC)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CCC(C)CCC=CC=C(C)C(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O.CCCCCC=CC=CC(=O)OC

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4762910
• CNP0307796

AD00621

Formula: C31H42O10

Smiles:

CCC(C)CCC=CC=C(C)C(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O

HBA:	10	RingCount:	3
HBD:	6	FractionCSP3:	0.52
AlogP:	3.0	Num_rotatable_bonds:	12
MolWt:	574.67	Num_heavy_atoms:	41
TPSA:	166.14	NumAromaticRings:	1

AD10019

Formula: C11H18O2

Smiles:

CCCCCC=CC=CC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.55
AlogP:	2.85	Num_rotatable_bonds:	6
MolWt:	182.26	Num_heavy_atoms:	13
TPSA:	26.3	NumAromaticRings:	0