Glycoside
GD145831
Name:
5-hydroxy-7-{[4-hydroxy-4-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}-3-methyl-4H-chromen-4-oneFormula:
C21H26O13Smiles:
Cc1coc2cc(OC3OCC(O)(CO)C3OC3OC(CO)C(O)C(O)C3O)cc(O)c2c1=OAglycone:
Cc1coc2cc(O)cc(O)c2c1=OSugarmoiety:
OCC1OC(OC2C(O)OCC2(O)CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.43 | Num_heavy_atoms: | 34 |
| TPSA: | 208.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD46273
Formula: C10H8O4
Smiles:
Cc1coc2cc(O)cc(O)c2c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
