GD116759

Name:

7,8,18,22,23,24,28,29,35,57-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,42,46,48,48,53,54-decamethyl-56-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,5,10,12,15,26,31,33,55-nonaoxadecacyclo[39.9.3.2¹¹,¹⁴.1²¹,²⁵.1³⁴,³⁸.0¹,⁴⁶.0⁴,⁹.0²⁷,³².0³⁷,⁴².0⁴⁵,⁵³]heptapentacont-44-ene-2,16,20-trione

Formula:

C65H102O29

Smiles:

CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC(C)(C)CC3(C)C3=CCC5(C)C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C(=O)CC(C)(O)CC(=O)OC1C(OC1OCC(O)C(O)C1O)C2O)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4

Aglycone:

CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC(C)(C)CC3(C)C3=CCC5(C)C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0203591

AD46434

Formula: C60H94O25

Smiles:

CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC(C)(C)CC3(C)C3=CCC5(C)C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4

HBA:	25	RingCount:	16
HBD:	13	FractionCSP3:	0.92
AlogP:	-0.97	Num_rotatable_bonds:	2
MolWt:	1215.39	Num_heavy_atoms:	85
TPSA:	397.27	NumAromaticRings:	0