GD141095

Name:

methyl 6-[(2-{[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}-4,5-dihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate

Formula:

C47H72O18

Smiles:

COC(=O)C1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC7(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)C7CC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

COC(=O)C1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0147616

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