Glycoside
GD022748
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1,6-dihydroxy-2-methyl-9,10-dihydroanthracene-9,10-dioneFormula:
C27H30O14Smiles:
Cc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=OAglycone:
Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD08670
Formula: C15H10O5
Smiles:
Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
