Glycoside
GD000097
Name:
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C36H32O15Smiles:
O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c2[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1Aglycone:
O=C1CC(c2ccc(O)cc2)Oc2c1c(O)cc(O)c2C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.28 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 704.64 | Num_heavy_atoms: | 51 |
| TPSA: | 253.13 | NumAromaticRings: | 4 |
Unique Aglycone
AD00124
Formula: C30H22O10
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2c1c(O)cc(O)c2C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 542.5 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 4 |
