Glycoside
GD127889
Name:
2-hydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)pentyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C21H20O11Smiles:
CC(=O)C(OC(=O)c1cc(O)c(O)c(O)c1)C(O)COC(=O)C=Cc1ccc(O)c(O)c1Aglycone:
O=CC=Cc1ccc(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1Sugarmoiety:
CC(=O)C(OO)C(O)COOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.19 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 191.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD02035
Formula: C7H6O4
Smiles:
O=Cc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD03296
Formula: C9H8O3
Smiles:
O=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
