GD153293

Name:

{6-[(1-{1,4-dihydroxy-8,11-dimethyl-3,7,9-trioxatricyclo[6.3.0.0²,⁶]undecan-5-yl}-9a,11a-dimethyl-1H,2H,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxy]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methyl acetate

Formula:

C43H64O17

Smiles:

CC(=O)OCC1OC(OC2CCC3(C)C4=C(CCC3C2)C2=CCC(C3C(O)OC5C3OC3(C)OCC(C)C53O)C2(C)CC4)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC1COC2(C)OC3C(C4CC=C5C6=C(CCC54C)C4(C)CCC(O)CC4CC6)C(O)OC3C12O.COC(C)=O

Sugarmoiety:

OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0163994

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

AD46827

Formula: C29H42O6

Smiles:

CC1COC2(C)OC3C(C4CC=C5C6=C(CCC54C)C4(C)CCC(O)CC4CC6)C(O)OC3C12O

HBA:	6	RingCount:	7
HBD:	3	FractionCSP3:	0.86
AlogP:	3.84	Num_rotatable_bonds:	1
MolWt:	486.65	Num_heavy_atoms:	35
TPSA:	88.38	NumAromaticRings:	0