Glycoside
GD132651
Name:
NoneFormula:
C22H22O14Smiles:
COC1=C([OH2+])C=C2C(=O)OC3C(OC)=C(OC4OC(C(=O)O)C(O)C([OH2+])C4O)C=C4C(=O)OC1C2=C43Aglycone:
COC1=C(O)C=C2C(=O)OC3C(OC)=C([OH2+])C=C4C(=O)OC1C2=C43Sugarmoiety:
O=C(O)C1OC(O)C(O)C([OH2+])C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 510.4 | Num_heavy_atoms: | 36 |
| TPSA: | 213.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD53706
Formula: C16H13O8
Smiles:
COC1=C(O)C=C2C(=O)OC3C(OC)=C([OH2+])C=C4C(=O)OC1C2=C43| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 333.27 | Num_heavy_atoms: | 24 |
| TPSA: | 114.19 | NumAromaticRings: | 0 |
