GD119071

Name:

Marstomentoside K

Formula:

C67H110O28

Smiles:

CC=C(C)C(=O)OC1CC2C3(C)CCC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CC3=CCC2(O)C2(O)CCC(O)(C(C)O)C12C

Aglycone:

CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)O)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

• CNP0057026

AD47663

Formula: C26H40O7

Smiles:

CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)O)C12C

HBA:	7	RingCount:	4
HBD:	5	FractionCSP3:	0.81
AlogP:	2.14	Num_rotatable_bonds:	3
MolWt:	464.6	Num_heavy_atoms:	33
TPSA:	127.45	NumAromaticRings:	0