GD114781

Name:

Marstomentoside Q

Formula:

C71H108O27

Smiles:

COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C=Cc3ccccc3)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1

Aglycone:

CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0423765

AD00401

Formula: C30H38O7

Smiles:

CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

HBA:	7	RingCount:	5
HBD:	4	FractionCSP3:	0.6
AlogP:	3.1	Num_rotatable_bonds:	4
MolWt:	510.63	Num_heavy_atoms:	37
TPSA:	124.29	NumAromaticRings:	1