Glycoside
GD119173
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-[(2-phenylacetyl)oxy]oxan-2-yl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetateFormula:
C22H24O10Smiles:
O=C1C=CC(O)(CC(=O)OC2OC(CO)C(O)C(O)C2OC(=O)Cc2ccccc2)C=C1Aglycone:
O=C(O)Cc1ccccc1.O=C1C=CC(O)(CC(=O)O)C=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00909
Formula: C8H8O2
Smiles:
O=C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD08700
Formula: C8H8O4
Smiles:
O=C1C=CC(O)(CC(=O)O)C=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
