GD147494

Name:

{6-[(2-{[1-(2-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-methyloct-6-en-2-yl)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

Formula:

C56H94O23

Smiles:

CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CCCC=C(C)C)OC6OC(COC7OC(CO)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C.COC(C)=O

Sugarmoiety:

OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0112044

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

AD45997

Formula: C31H54O3

Smiles:

CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	0.94
AlogP:	6.89	Num_rotatable_bonds:	5
MolWt:	474.77	Num_heavy_atoms:	34
TPSA:	60.69	NumAromaticRings:	0