Glycoside
GD129532
Name:
6-{[4a-hydroxy-4-(oxiran-2-yl)-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C26H30O14Smiles:
COc1cc(C=CC(=O)OC2C(CO)OC(OC3OC=C4C(=O)OCCC4(O)C3C3CO3)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.O=C1OCCC2(O)C1=COC(O)C2C1CO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 203.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD52467
Formula: C10H12O6
Smiles:
O=C1OCCC2(O)C1=COC(O)C2C1CO1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 88.52 | NumAromaticRings: | 0 |
