Glycoside
GD024669
Name:
2-{[4-hydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenyl)-8-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H38O16Smiles:
Cc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(CO)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c1O[C@H](c1ccc(O)cc1)C[C@H]2OAglycone:
Cc1c(O)c(CO)c(O)c2c1OC(c1ccc(O)cc1)CC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.61 | Num_heavy_atoms: | 45 |
| TPSA: | 268.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD16443
Formula: C17H18O6
Smiles:
Cc1c(O)c(CO)c(O)c2c1OC(c1ccc(O)cc1)CC2O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
