Glycoside
GD142583
Name:
2-(2,5-dihydroxy-4-methoxyphenyl)-5,6,8-trihydroxy-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O13Smiles:
COc1cc(O)c(C2CC(=O)c3c(O)c(O)c(OC4OCC(O)C(O)C4O)c(O)c3O2)cc1OAglycone:
COc1cc(O)c(C2CC(=O)c3c(O)c(O)c(O)c(O)c3O2)cc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.39 | Num_heavy_atoms: | 34 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD57377
Formula: C16H14O9
Smiles:
COc1cc(O)c(C2CC(=O)c3c(O)c(O)c(O)c(O)c3O2)cc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.19 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.28 | Num_heavy_atoms: | 25 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
