GD130294

Name:

Deplelide B

Formula:

C73H116O27S

Smiles:

CCC(OC1CC(OC(=O)C(CC)C(O)c2ccc3c(c2)C(=O)C=C(C)C3=O)C(OC)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CC(C)C(O)CC(O)CCCC(C)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)C3OC3C1C)CC(S(=O)(=O)O)C2O

Aglycone:

CCC(C(=O)O)C(O)c1ccc2c(c1)C(=O)C=C(C)C2=O.CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CC(C)C(O)CC(O)CCCC(C)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)C3OC3C1C)CC(S(=O)(=O)O)C2O

Sugarmoiety:

COC1C(O)CC(O)OC1C

Other Identifiers

• CNP0072241

AD47875

Formula: C50H90O20S

Smiles:

CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CC(C)C(O)CC(O)CCCC(C)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)C3OC3C1C)CC(S(=O)(=O)O)C2O

HBA:	20	RingCount:	3
HBD:	13	FractionCSP3:	0.92
AlogP:	1.05	Num_rotatable_bonds:	8
MolWt:	1043.32	Num_heavy_atoms:	71
TPSA:	362.26	NumAromaticRings:	0

AD52799

Formula: C16H16O5

Smiles:

CCC(C(=O)O)C(O)c1ccc2c(c1)C(=O)C=C(C)C2=O

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.31
AlogP:	2.16	Num_rotatable_bonds:	4
MolWt:	288.3	Num_heavy_atoms:	21
TPSA:	91.67	NumAromaticRings:	1