Glycoside
GD144339
Name:
8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C27H32O14Smiles:
O=C1OC(c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)Cc2cccc(OC3OC(CO)C(O)C(O)C3O)c21Aglycone:
O=C1OC(c2ccc(O)cc2)Cc2cccc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD05021
Formula: C15H12O4
Smiles:
O=C1OC(c2ccc(O)cc2)Cc2cccc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
