Glycoside
GD134160
Name:
2-({4-ethenyl-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3',6-dihydroxy-[1,1'-biphenyl]-2-carboxylateFormula:
C29H30O12Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)c2cccc(O)c2-c2cccc(O)c2)OC=C2C(=O)OCCC21Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC21.O=C(O)c1cccc(O)c1-c1cccc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.55 | Num_heavy_atoms: | 41 |
| TPSA: | 181.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD06795
Formula: C10H12O4
Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD54275
Formula: C13H10O4
Smiles:
O=C(O)c1cccc(O)c1-c1cccc(O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.22 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
