GD144226

Name:

2-({2-[(4,5-dihydroxy-2-{[18-hydroxy-22-methoxy-5,20-dimethyl-19-(2-methylprop-1-en-1-yl)-15,21-dioxahexacyclo[14.6.1.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0²⁰,²³]tricos-10-en-8-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C46H72O19

Smiles:

COC1OC2(C)C(C=C(C)C)C(O)CC3OC4C5CC=C6CC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC14C32

Aglycone:

COC1OC2(C)C(C=C(C)C)C(O)CC3OC4C5CC=C6CC(O)CCC6(C)C5CCC14C32

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0293805

AD57972

Formula: C28H42O5

Smiles:

COC1OC2(C)C(C=C(C)C)C(O)CC3OC4C5CC=C6CC(O)CCC6(C)C5CCC14C32

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.86
AlogP:	4.37	Num_rotatable_bonds:	2
MolWt:	458.64	Num_heavy_atoms:	33
TPSA:	68.15	NumAromaticRings:	0