Glycoside
GD135968
Name:
6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,4,5-tetrahydroxy-2-[(methylazaniumyl)methyl]oxane-2-carboxylateFormula:
C23H23O13NSmiles:
CNCC1(C(=O)O)OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)C(O)C(O)(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
CNCC1(C(=O)O)OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.3 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 521.43 | Num_heavy_atoms: | 37 |
| TPSA: | 239.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00690
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
