GD118294

Name:

butyl 6-{[1,2,8,15,19,19-hexamethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)hexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-en-18-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate

Formula:

C50H78O18

Smiles:

CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC6(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)C6CC34C)C2(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:

CC12CCC3(C(=O)O)C(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC23.CCCCOC=O

Sugarmoiety:

OC1COC(OC2C(O)OC(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0391211

AD01542

Formula: C5H10O2

Smiles:

CCCCOC=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.8
AlogP:	0.96	Num_rotatable_bonds:	4
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	26.3	NumAromaticRings:	0

AD46888

Formula: C29H44O3

Smiles:

CC12CCC3(C(=O)O)C(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC23

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	6.45	Num_rotatable_bonds:	1
MolWt:	440.67	Num_heavy_atoms:	32
TPSA:	57.53	NumAromaticRings:	0