Glycoside
GD017825
Name:
7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C30H36O16Smiles:
COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1Aglycone:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 652.6 | Num_heavy_atoms: | 46 |
| TPSA: | 236.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD12675
Formula: C18H16O7
Smiles:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
