Glycoside
GD138405
Name:
4-formyl-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C22H18O11Smiles:
O=CC1(O)C(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(C(=O)O)C1OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
O=CC1(O)C(O)C(O)OC(C(=O)O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.38 | Num_heavy_atoms: | 33 |
| TPSA: | 183.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD04556
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
