GD143618

Name:

2-[(5-hydroxy-2-{[18-hydroxy-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-14-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C53H88O22

Smiles:

CC(C)=CCCC(C)C1C(OC2OCC(O)C(O)C2O)CC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35C(O)CC12C

Aglycone:

CC(C)=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C

Sugarmoiety:

OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0202886

AD56483

Formula: C30H50O3

Smiles:

CC(C)=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C

HBA:	3	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	6.11	Num_rotatable_bonds:	4
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0