GD123977

Name:

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

Formula:

C50H76O20

Smiles:

CC(=O)OCC1OC(OCC2OC(OC(=O)C34CCC5(C)C(=CC(O)C6C7(C)CCC(=O)C(C)(C)C7CCC65C)C3CC(C)(C)C(=O)C4)C(O)C(O)C2O)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

CC1(C)CC2C3=CC(O)C4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1=O.COC(C)=O

Sugarmoiety:

CC1OC(OC2C(O)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0254206

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

AD45178

Formula: C30H44O5

Smiles:

CC1(C)CC2C3=CC(O)C4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1=O

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.83
AlogP:	5.59	Num_rotatable_bonds:	1
MolWt:	484.68	Num_heavy_atoms:	35
TPSA:	91.67	NumAromaticRings:	0