Glycoside
GD126947
Name:
4,5-dihydroxy-2-({4-hydroxy-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl}oxy)-6-(hydroxymethyl)oxan-3-yl 3,3',5-trihydroxy-[1,1'-biphenyl]-2-carboxylateFormula:
C27H28O14Smiles:
O=C1OCCC2C1=COC(OC1OC(CO)C(O)C(O)C1OC(=O)c1c(O)cc(O)cc1-c1cccc(O)c1)C2OAglycone:
O=C(O)c1c(O)cc(O)cc1-c1cccc(O)c1.O=C1OCCC2C1=COC(O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.51 | Num_heavy_atoms: | 41 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD44490
Formula: C13H10O5
Smiles:
O=C(O)c1c(O)cc(O)cc1-c1cccc(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 |
AD51386
Formula: C8H10O5
Smiles:
O=C1OCCC2C1=COC(O)C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.16 | Num_heavy_atoms: | 13 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
