GD116583

Name:

6-acetyl-9-(acetyloxy)-14-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-8-yl 2-methylbut-2-enoate

Formula:

C48H74O19

Smiles:

CC=C(C)C(=O)OC1C(OC(C)=O)C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(OC)C5O)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C12C

Aglycone:

CC=C(C)C(=O)OC1C(OC(C)=O)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O

Other Identifiers

• CNP0179888

AD46323

Formula: C28H40O7

Smiles:

CC=C(C)C(=O)OC1C(OC(C)=O)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12C

HBA:	7	RingCount:	5
HBD:	1	FractionCSP3:	0.82
AlogP:	3.9	Num_rotatable_bonds:	4
MolWt:	488.62	Num_heavy_atoms:	35
TPSA:	102.43	NumAromaticRings:	0