Glycoside
GD140704
Name:
2-hydroxy-4-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-2,5-dien-1-oneFormula:
C13H18O8Smiles:
CC1(OC2OC(CO)C(O)C(O)C2O)C=CC(=O)C(O)=C1Aglycone:
CC1(O)C=CC(=O)C(O)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.28 | Num_heavy_atoms: | 21 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD56728
Formula: C7H8O3
Smiles:
CC1(O)C=CC(=O)C(O)=C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
