Glycoside
GD136000
Name:
7-hydroxy-2-(4-hydroxyphenyl)-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O10Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(OCC3OC(O)C(O)C(O)C3O)c21Aglycone:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD47834
Formula: C16H14O5
Smiles:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
