GD128952

Name:

Strychoside B

Formula:

C66H90O37

Smiles:

C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC=C(C=O)C1C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C

Aglycone:

C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC=C(C=O)C1C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)=COC(O)C1C=C

Sugarmoiety:

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

Other Identifiers

• CNP0245588

AD52231

Formula: C42H50O17

Smiles:

C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC=C(C=O)C1C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)=COC(O)C1C=C

HBA:	17	RingCount:	6
HBD:	4	FractionCSP3:	0.55
AlogP:	1.98	Num_rotatable_bonds:	12
MolWt:	826.85	Num_heavy_atoms:	59
TPSA:	240.11	NumAromaticRings:	0