GD138838

Name:

2-{[4-hydroxy-2-({2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-methylidene-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl}oxy)-5-[(5-hydroxy-4-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C71H116O36

Smiles:

C=C1OC23CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC(O)C12CCC(C)(C)CC23

Aglycone:

C=C1OC23CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC(O)C12CCC(C)(C)CC23

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0095874

AD48883

Formula: C31H50O3

Smiles:

C=C1OC23CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC(O)C12CCC(C)(C)CC23

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.94
AlogP:	6.87	Num_rotatable_bonds:	0
MolWt:	470.74	Num_heavy_atoms:	34
TPSA:	49.69	NumAromaticRings:	0