Glycoside
GD150479
Name:
5-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloctanoyl)oxy]-3-hydroxy-6-methyloctanoic acidFormula:
C23H42O11Smiles:
CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CCAglycone:
CCC(C)C(O)CC(O)CC(=O)OC(CC(O)CC(=O)O)C(C)CCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 16 |
| MolWt: | 494.58 | Num_heavy_atoms: | 34 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD07302
Formula: C18H34O7
Smiles:
CCC(C)C(O)CC(O)CC(=O)OC(CC(O)CC(=O)O)C(C)CC| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 362.46 | Num_heavy_atoms: | 25 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
