GD122135

Name:

2-{[6-(3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-3,4,5-trihydroxy-2-methylheptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C48H82O20

Smiles:

CC(C(O)C(O)C(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C

Aglycone:

CCC1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C

Sugarmoiety:

CC(C)(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(O)O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0317015

AD18108

Formula: C24H40O

Smiles:

CCC1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C

HBA:	1	RingCount:	4
HBD:	1	FractionCSP3:	0.92
AlogP:	6.36	Num_rotatable_bonds:	1
MolWt:	344.58	Num_heavy_atoms:	25
TPSA:	20.23	NumAromaticRings:	0