Glycoside
GD156500
Name:
2-{[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H36O17Smiles:
COc1cc(C2=C(OC3OC(CO)C(O)C(O)C3O)Cc3c(cc(O)cc3OC3OC(CO)C(O)C(O)C3O)O2)cc(OC)c1OAglycone:
COc1cc(C2=C(O)Cc3c(O)cc(O)cc3O2)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 656.59 | Num_heavy_atoms: | 46 |
| TPSA: | 266.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD61959
Formula: C17H16O7
Smiles:
COc1cc(C2=C(O)Cc3c(O)cc(O)cc3O2)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
