Glycoside
GD121022
Name:
4,5,6-trihydroxy-1-oxo-2-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]hexan-3-yl 3,4,5-trihydroxybenzoateFormula:
C21H22O13Smiles:
O=CC(CC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C(O)C(O)COAglycone:
CC(=O)c1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1Sugarmoiety:
O=CC(O)C(OO)C(O)C(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 482.39 | Num_heavy_atoms: | 34 |
| TPSA: | 242.51 | 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 |
AD04444
Formula: C8H8O4
Smiles:
CC(=O)c1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
