GD154445

Name:

Mycaloside K

Formula:

C53H86O24

Smiles:

CC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C=CC(C)C(C)C)CO)CC(O)C43)C2O)C(O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(C)C(C)C=CC(CO)C1CC(O)C2C3CC=C4C(O)C(O)CCC4(C)C3CCC12C.COC(C)=O

Sugarmoiety:

OCC1OC(OC2C(OC3C(O)C(O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0193303

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD20200

Formula: C28H46O4

Smiles:

CC(C)C(C)C=CC(CO)C1CC(O)C2C3CC=C4C(O)C(O)CCC4(C)C3CCC12C

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	0.86
AlogP:	4.32	Num_rotatable_bonds:	5
MolWt:	446.67	Num_heavy_atoms:	32
TPSA:	80.92	NumAromaticRings:	0