Glycoside
GD118081
Name:
2-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C42H42O18Smiles:
O=C1c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2OC(c2ccc(O)cc2)C1C1C(=O)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2OC1c1ccc(O)cc1Aglycone:
O=C1c2ccc(O)cc2OC(c2ccc(O)cc2)C1C1C(=O)c2ccc(O)cc2OC1c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 834.78 | Num_heavy_atoms: | 60 |
| TPSA: | 291.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD47169
Formula: C30H22O8
Smiles:
O=C1c2ccc(O)cc2OC(c2ccc(O)cc2)C1C1C(=O)c2ccc(O)cc2OC1c1ccc(O)cc1| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 510.5 | Num_heavy_atoms: | 38 |
| TPSA: | 133.52 | NumAromaticRings: | 4 |
