GD009367

Name:

6-[9-hydroxy-7,7,12,16-tetramethyl-6,14-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-1-en-3-one

Formula:

C42H68O14

Smiles:

C=C(C)C(=O)CC[C@H](C)[C@@H]1[C@H](OC2OC(CO)C(O)C(O)C2O)C[C@]2(C)[C@@H]3C[C@H](O)C4C(C)(C)[C@H](OC5OC(CO)C(O)C(O)C5O)CC[C@]45C[C@@]35CC[C@]12C

Aglycone:

C=C(C)C(=O)CCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1977273
• CNP0319003

AD07348

Formula: C30H48O4

Smiles:

C=C(C)C(=O)CCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	5.29	Num_rotatable_bonds:	5
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0