GD136180

Name:

2-[(2-{[9,14-dihydroxy-7,7,12,16-tetramethyl-15-(2,6,6-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C47H78O19

Smiles:

CC1(C)OC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)CCC1OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC1(C)OC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)CCC1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0178776

AD52971

Formula: C30H50O5

Smiles:

CC1(C)OC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)CCC1O

HBA:	5	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	4.44	Num_rotatable_bonds:	1
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0