Glycoside
GD140233
Name:
2-methyl-3-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enoic acidFormula:
C10H16O7Smiles:
CC(=CC1(O)OC(CO)C(O)CC1O)C(=O)OAglycone:
C=C(C)C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.23 | Num_heavy_atoms: | 17 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD56541
Formula: C4H6O2
Smiles:
C=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.09 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
