Glycoside
GD151336
Name:
3-hydroxy-3-methyl-5-oxo-5-{[3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methoxy}pentanoic acidFormula:
C19H26O12Smiles:
COc1cc(OC2OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.COc1cc(O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 446.41 | Num_heavy_atoms: | 31 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00096
Formula: C7H8O3
Smiles:
COc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
