GD142902

Name:

2-[(2-{[(4,5-dihydroxy-2-{[18-hydroxy-22-methoxy-5-methyl-19-(2-methylprop-1-en-1-yl)-17,21-dioxahexacyclo[14.6.1.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0²⁰,²³]tricos-10-en-8-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]methyl}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C46H72O19

Smiles:

COC1OC2C(C=C(C)C)C(O)OC3CC4C5CC=C6CC(OC7OC(CO)C(O)C(O)C7OCC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC14C32

Aglycone:

COC1OC2C(C=C(C)C)C(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC14C32

Sugarmoiety:

CC1OC(OC2C(COC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0416031

AD49628

Formula: C27H40O5

Smiles:

COC1OC2C(C=C(C)C)C(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC14C32

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.85
AlogP:	4.19	Num_rotatable_bonds:	2
MolWt:	444.61	Num_heavy_atoms:	32
TPSA:	68.15	NumAromaticRings:	0