GD151654

Name:

Saprosmoside H

Formula:

C34H42O21S

Smiles:

CSC(=O)OCC1=CC(O)C2C(C(=O)OC3C(OC4OC=C5C(=O)OC6C=C(CO)C4C56)OC(CO)C(O)C3O)=COC(OC3OC(CO)C(O)C(O)C3O)C12

Aglycone:

CSC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12.O=C1OC2C=C(CO)C3C(O)OC=C1C23

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0118021

AD13525

Formula: C12H14O7S

Smiles:

CSC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12

HBA:	7	RingCount:	2
HBD:	3	FractionCSP3:	0.5
AlogP:	0.34	Num_rotatable_bonds:	3
MolWt:	302.3	Num_heavy_atoms:	20
TPSA:	113.29	NumAromaticRings:	0

AD14606

Formula: C10H10O5

Smiles:

O=C1OC2C=C(CO)C3C(O)OC=C1C23

HBA:	5	RingCount:	3
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.69	Num_rotatable_bonds:	1
MolWt:	210.19	Num_heavy_atoms:	15
TPSA:	75.99	NumAromaticRings:	0