Glycoside
GD122902
Name:
6-[({4-ethenyl-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl 2,3',6-trihydroxy-[1,1'-biphenyl]-4-carboxylateFormula:
C29H30O13Smiles:
C=CC1C(OCC2OC(OC(=O)c3cc(O)c(-c4cccc(O)c4)c(O)c3)C(O)C(O)C2O)OC=C2C(=O)OCCC21Aglycone:
C=CC1C(OC)OC=C2C(=O)OCCC21.O=C(O)c1cc(O)c(-c2cccc(O)c2)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 586.55 | Num_heavy_atoms: | 42 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD11246
Formula: C13H10O5
Smiles:
O=C(O)c1cc(O)c(-c2cccc(O)c2)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
AD49569
Formula: C11H14O4
Smiles:
C=CC1C(OC)OC=C2C(=O)OCCC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
