Glycoside
GD149182
Name:
2-{4-[(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)methyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H30O9Smiles:
COc1cc(O)c(Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)c2c1-c1ccc(O)cc1CC2Aglycone:
COc1cc(O)c(Cc2ccc(O)cc2)c2c1-c1ccc(O)cc1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.54 | Num_heavy_atoms: | 37 |
| TPSA: | 149.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD59655
Formula: C22H20O4
Smiles:
COc1cc(O)c(Cc2ccc(O)cc2)c2c1-c1ccc(O)cc1CC2| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.4 | Num_heavy_atoms: | 26 |
| TPSA: | 69.92 | NumAromaticRings: | 3 |
