Glycoside
GD024104
Name:
2-{2-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxyphenyl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O15Smiles:
C[C@@H]1O[C@H](Oc2ccc(O)cc2[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
O=C1CC(c2cc(O)ccc2O)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD08896
Formula: C15H12O6
Smiles:
O=C1CC(c2cc(O)ccc2O)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
