Glycoside
GD153900
Name:
4,5-dihydroxy-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohex-2-en-1-oneFormula:
C14H22O9Smiles:
O=C1C=CC(O)(CCOC2OC(CO)C(O)C(O)C2O)C(O)C1Aglycone:
O=C1C=CC(O)(CCO)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.32 | Num_heavy_atoms: | 23 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD61169
Formula: C8H12O4
Smiles:
O=C1C=CC(O)(CCO)C(O)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.18 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
