GD138579

Name:

2-[(5-hydroxy-2-{[16-hydroxy-18-(1-hydroxy-2-methylprop-2-en-1-yl)-2,6,6,10,16-pentamethyl-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C47H76O18

Smiles:

C=C(C)C(O)C1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

Aglycone:

C=C(C)C(O)C1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0165474

AD55922

Formula: C30H48O5

Smiles:

C=C(C)C(O)C1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	4.83	Num_rotatable_bonds:	2
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	79.15	NumAromaticRings:	0