GD135195

Name:

Marstomentoside H

Formula:

C71H110O28

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(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(OC)C4O)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(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(OC)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0059447

AD04115

Formula: C30H40O7

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:	5	FractionCSP3:	0.63
AlogP:	2.89	Num_rotatable_bonds:	4
MolWt:	512.64	Num_heavy_atoms:	37
TPSA:	127.45	NumAromaticRings:	1