Glycoside
GD117579
Name:
NoneFormula:
C25H32O14Smiles:
C=C(CO)C1Oc2ccc(C(C)=O)c(O)c2C1OC1OC(CO)C(O)C(OC(=O)CC(C)(O)CC(=O)O)C1OAglycone:
C=C(CO)C1Oc2ccc(C(C)=O)c(O)c2C1O.CC(O)(CC(=O)O)CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 556.52 | Num_heavy_atoms: | 39 |
| TPSA: | 229.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD17237
Formula: C6H10O5
Smiles:
CC(O)(CC(=O)O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
AD46896
Formula: C13H14O5
Smiles:
C=C(CO)C1Oc2ccc(C(C)=O)c(O)c2C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.25 | Num_heavy_atoms: | 18 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
