Glycoside
GD147289
Name:
5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C28H32O15Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)cc2occ(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)c(=O)c12Aglycone:
COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD21512
Formula: C16H12O5
Smiles:
COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
