GD153451

Name:

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

Formula:

C63H106O24

Smiles:

CCCCCC=CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CCC=C(C)C)OCC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0162583

AD46556

Formula: C31H54O3

Smiles:

COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.94
AlogP:	7.15	Num_rotatable_bonds:	5
MolWt:	474.77	Num_heavy_atoms:	34
TPSA:	49.69	NumAromaticRings:	0

AD53297

Formula: C9H16O2

Smiles:

CCCCCC=CC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	2.3	Num_rotatable_bonds:	5
MolWt:	156.22	Num_heavy_atoms:	11
TPSA:	26.3	NumAromaticRings:	0