GD154625

Name:

2-{[3-hydroxy-2-(hydroxymethyl)-6-{[7,7,12,16-tetramethyl-15-(1,3,4-trihydroxy-6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C48H80O19

Smiles:

CC(C)=CC(O)C(O)C(CO)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C

Aglycone:

CC(C)=CC(O)C(O)C(CO)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0087118

AD61393

Formula: C30H50O4

Smiles:

CC(C)=CC(O)C(O)C(CO)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	5.08	Num_rotatable_bonds:	5
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0