Glycoside
GD147983
Name:
5,6,7-trihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C23H26O13Smiles:
COc1cc(C2c3c(cc(O)c(O)c3O)C(=O)OC2COC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2c3c(cc(O)c(O)c3O)C(=O)OC2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.45 | Num_heavy_atoms: | 36 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD59238
Formula: C17H16O8
Smiles:
COc1cc(C2c3c(cc(O)c(O)c3O)C(=O)OC2CO)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.31 | Num_heavy_atoms: | 25 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
