GD129811

Name:

4,5-bis(acetyloxy)-6-[(2-{3-[(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)oxy]-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-4,16'-dioloxy}-4,5-dihydroxyoxan-3-yl)oxy]-2-methyloxan-3-yl acetate

Formula:

C50H72O21

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(O)C7OC7OC(C)C(OC(C)=O)C(OC(C)=O)C7OC(C)=O)C6(C)C5CCC4(C)C3C2C)C(OC2OC(C)C(=O)C(O)C2O)C1O

Aglycone:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(OC2OC(C)C(=O)C(O)C2O)C1O

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OCC(O)C2O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0108564

AD52590

Formula: C33H48O10

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(OC2OC(C)C(=O)C(O)C2O)C1O

HBA:	10	RingCount:	7
HBD:	5	FractionCSP3:	0.85
AlogP:	1.61	Num_rotatable_bonds:	2
MolWt:	604.74	Num_heavy_atoms:	43
TPSA:	155.14	NumAromaticRings:	0