GD140975

Name:

4-(acetyloxy)-6-{[15-(5,6-dihydroxy-6-methylheptan-2-yl)-14-hydroxy-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl acetate

Formula:

C50H82O20

Smiles:

CC(=O)OC1COC(OC2CCC34CC35CCC3(C)C(C(C)CCC(O)C(C)(C)O)C(O)CC3(C)C5CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)C(OC2OCC(O)C(O)C2O)C1OC(C)=O

Aglycone:

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

Sugarmoiety:

CC(=O)OC1COC(O)C(OC2OCC(O)C(O)C2O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0104708

AD11918

Formula: C30H52O5

Smiles:

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

HBA:	5	RingCount:	5
HBD:	5	FractionCSP3:	1.0
AlogP:	4.28	Num_rotatable_bonds:	5
MolWt:	492.74	Num_heavy_atoms:	35
TPSA:	101.15	NumAromaticRings:	0