Glycoside
GD130831
Name:
8-(hydroxymethyl)-3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C22H22O10Smiles:
O=c1c(-c2ccc(O)cc2)coc2c(CO)c(OC3OC(CO)C(O)C(O)C3O)ccc12Aglycone:
O=c1c(-c2ccc(O)cc2)coc2c(CO)c(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 170.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD53010
Formula: C16H12O5
Smiles:
O=c1c(-c2ccc(O)cc2)coc2c(CO)c(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
