Glycoside
GD144688
Name:
2-({4-ethenyl-8-oxo-3H,4H,6H,8H-pyrano[3,4-c]pyran-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C25H26O11Smiles:
C=CC1C2=CCOC(=O)C2=COC1OC1OC(CO)C(O)C(O)C1OC(=O)C=Cc1ccc(O)cc1Aglycone:
C=CC1C2=CCOC(=O)C2=COC1O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 502.47 | Num_heavy_atoms: | 36 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD00479
Formula: C10H10O4
Smiles:
C=CC1C2=CCOC(=O)C2=COC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
