GD119868

Name:

2-[(2-{1-[7-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethoxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:

C54H90O23

Smiles:

COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC5OC(C)C(O)C(OC)C5OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC43)C2)OC(C)C1OC1OC(C)C(O)C(OC)C1O

Aglycone:

CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:

COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1O

Other Identifiers

• CNP0116513

AD45290

Formula: C21H34O2

Smiles:

CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

HBA:	2	RingCount:	4
HBD:	2	FractionCSP3:	0.9
AlogP:	4.31	Num_rotatable_bonds:	1
MolWt:	318.5	Num_heavy_atoms:	23
TPSA:	40.46	NumAromaticRings:	0