GD135955

Name:

(6-{[5-(acetyloxy)-10-[(4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

Formula:

C63H102O30

Smiles:

CC(=O)OCC1OC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC(OC(C)=O)C23CO)C(O)C(O)C1O

Aglycone:

CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO.COC(C)=O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(OC3C(O)OCC(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0139635

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

AD23537

Formula: C32H52O5

Smiles:

CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.91
AlogP:	5.65	Num_rotatable_bonds:	2
MolWt:	516.76	Num_heavy_atoms:	37
TPSA:	86.99	NumAromaticRings:	0