Glycoside
GD155995
Name:
2,8-dihydroxy-3-(4-hydroxyphenyl)-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O11Smiles:
O=C1c2cc(OCC3OC(O)C(O)C(O)C3O)cc(O)c2OC(O)C1c1ccc(O)cc1Aglycone:
COc1cc(O)c2c(c1)C(=O)C(c1ccc(O)cc1)C(O)O2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD61812
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(c1)C(=O)C(c1ccc(O)cc1)C(O)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
