GD123544

Name:

2-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-{[18-hydroxy-4,8,8,12,18-pentamethyl-20-(2-methylprop-1-en-1-yl)-21,23-dioxahexacyclo[18.2.1.0¹,¹⁷.0³,¹⁶.0⁴,¹³.0⁷,¹²]tricosan-9-yl]oxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C52H84O21

Smiles:

CC(C)=CC12CC(C)(O)C3C4CCC5C(C)(CCC6C(C)(C)C(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CCC65C)C4CC3(CO1)O2

Aglycone:

CC(C)=CC12CC(C)(O)C3C4CCC5C(C)(CCC6C(C)(C)C(O)CCC65C)C4CC3(CO1)O2

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0142030

AD49874

Formula: C30H48O4

Smiles:

CC(C)=CC12CC(C)(O)C3C4CCC5C(C)(CCC6C(C)(C)C(O)CCC65C)C4CC3(CO1)O2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.86	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	58.92	NumAromaticRings:	0