Glycoside
GD117992
Name:
3,4,5-trihydroxy-6-{[3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acidFormula:
C23H26O11Smiles:
COc1ccc(C2COc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3C2)c(O)c1OCAglycone:
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD42315
Formula: C17H18O5
Smiles:
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
