Glycoside
GD117824
Name:
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-{[4-hydroxy-5-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}-4H-chromen-4-oneFormula:
C27H30O15Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC4OC(CO)C(O)C4OC4OC(CO)C(O)C(O)C4O)ccc3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)c(O)ccc3o2)ccc1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD47030
Formula: C16H12O6
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(O)ccc3o2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
