GD127045

Name:

2-{[3-hydroxy-2-(hydroxymethyl)-6-{[15-(2-hydroxypropan-2-yl)-1,2,6,6,10,18-hexamethyl-14,23-dioxahexacyclo[11.8.1.1¹⁵,¹⁸.0²,¹¹.0⁵,¹⁰.0¹⁹,²²]tricosan-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C48H80O17

Smiles:

CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC4OC6(C(C)(C)O)CCC(C)(O6)C6CCC5(C)C46)C3(C)C)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC12CCC(C(C)(C)O)(OC3CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C4(C)CCC1C34)O2

Sugarmoiety:

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

Other Identifiers

• CNP0025410

AD51428

Formula: C30H50O4

Smiles:

CC12CCC(C(C)(C)O)(OC3CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C4(C)CCC1C34)O2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	6.08	Num_rotatable_bonds:	1
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	58.92	NumAromaticRings:	0