GD144846

Name:

(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(6-methoxy-7,9,13-trimethyl-6-{3-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]butyl}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl)oxy]oxan-4-yl]oxy}-3-hydroxy-5-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl acetate

Formula:

C55H90O23

Smiles:

COC1(CCC(C)COC2OC(C)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(COC(C)=O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7C)C6O)CCC5(C)C4CCC3(C)C2C1C

Aglycone:

COC(C)=O.COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1C(OC2C(O)C(O)OC(CO)C2O)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0342053

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD00335

Formula: C28H46O4

Smiles:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.93
AlogP:	5.32	Num_rotatable_bonds:	5
MolWt:	446.67	Num_heavy_atoms:	32
TPSA:	58.92	NumAromaticRings:	0