Glycoside
GD135326
Name:
3-(3,4-dihydroxyphenyl)-2,8-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O12Smiles:
O=C1c2cc(OCC3OC(O)C(O)C(O)C3O)cc(O)c2OC(O)C1c1ccc(O)c(O)c1Aglycone:
COc1cc(O)c2c(c1)C(=O)C(c1ccc(O)c(O)c1)C(O)O2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 206.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD54721
Formula: C16H14O7
Smiles:
COc1cc(O)c2c(c1)C(=O)C(c1ccc(O)c(O)c1)C(O)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
