Glycoside
GD124959
Name:
1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)ethan-1-oneFormula:
C20H28O13Smiles:
CC(=O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1OAglycone:
CC(=O)c1c(O)cc(O)cc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.43 | Num_heavy_atoms: | 33 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD05020
Formula: C8H8O4
Smiles:
CC(=O)c1c(O)cc(O)cc1O| 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 |
