GD118739

Name:

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

Formula:

C55H92O22

Smiles:

CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CCC3C(C(O)(CCC=C(C)C)COC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OC(C)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Aglycone:

CC(C)=CCCC(O)(CO)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C.COC(C)=O

Sugarmoiety:

CC1OC(OC2C(O)OC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0401732

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

AD11862

Formula: C30H52O3

Smiles:

CC(C)=CCCC(O)(CO)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	0.93
AlogP:	6.5	Num_rotatable_bonds:	5
MolWt:	460.74	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0