Glycoside
GD151672
Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-[(4-oxo-4H-pyran-3-yl)oxy]oxan-4-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C20H20O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)C(CO)OC(Oc2coccc2=O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=c1ccocc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 176.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD24873
Formula: C5H4O3
Smiles:
O=c1ccocc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.08 | Num_heavy_atoms: | 8 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
