GD130313

Name:

(6-{[2-({6-[(4,5-dihydroxy-2-{[2,6,13,17,17-pentamethyl-6-(4-methylpent-4-en-1-yl)-4,8-dioxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-1(20)-en-16-yl]oxy}oxan-3-yl)oxy]-4-hydroxy-2-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

Formula:

C60H92O27

Smiles:

C=C(C)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OCC(O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C(OC8OC(COC(C)=O)C(O)C(O)C8O)C7O)C(O)C6OC6OCC(O)C(O)C6O)CCC45C)C2(C)CC(=O)C13

Aglycone:

C=C(C)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(=O)C13.COC(C)=O

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0332240

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

AD12207

Formula: C30H44O4

Smiles:

C=C(C)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(=O)C13

HBA:	4	RingCount:	5
HBD:	1	FractionCSP3:	0.8
AlogP:	6.17	Num_rotatable_bonds:	4
MolWt:	468.68	Num_heavy_atoms:	34
TPSA:	63.6	NumAromaticRings:	0