Glycoside
GD129635
Name:
2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}-4H-chromen-4-oneFormula:
C22H22O13Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OOC4OC(CO)C(O)C(O)C4O)cc3o2)cc(O)c1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(OO)cc3o2)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.41 | Num_heavy_atoms: | 35 |
| TPSA: | 208.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD52513
Formula: C16H12O8
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OO)cc3o2)cc(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
