Glycoside
GD125991
Name:
5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C22H22O12Smiles:
COc1cc(-c2cc(=O)c3c(O)c(O)c(O)c(OC4OC(C)C(O)C(O)C4O)c3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)c(O)c(O)c(O)c3o2)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD50966
Formula: C16H12O8
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(O)c(O)c(O)c3o2)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
