Glycoside
GD142088
Name:
3-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1H-isochromen-1-oneFormula:
C21H20O8Smiles:
O=c1oc(-c2cccc(OC3OC(CO)C(O)C(O)C3O)c2)cc2ccccc12Aglycone:
O=c1oc(-c2cccc(O)c2)cc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.38 | Num_heavy_atoms: | 29 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD57193
Formula: C15H10O3
Smiles:
O=c1oc(-c2cccc(O)c2)cc2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.24 | Num_heavy_atoms: | 18 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
