Glycoside
GD154802
Name:
5-{[3,5-dihydroxy-2-(hydroxymethyl)-6-({4-[2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl}oxy)oxan-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acidFormula:
C25H40O12Smiles:
CC(CCC1C(CO)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(OC(=O)CC(C)(O)CC(=O)O)C1OAglycone:
CC(O)(CC(=O)O)CC(=O)O.CC(O)CCC1C(CO)=CC(=O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 532.58 | Num_heavy_atoms: | 37 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD17237
Formula: C6H10O5
Smiles:
CC(O)(CC(=O)O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
AD47820
Formula: C13H22O3
Smiles:
CC(O)CCC1C(CO)=CC(=O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
