Glycoside
GD142815
Name:
3-benzyl-1-hydroxy-7-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C28H26O10Smiles:
O=C1c2ccc(CO)cc2C(=O)c2c1cc(Cc1ccccc1)c(OC1OC(CO)C(O)C(O)C1O)c2OAglycone:
O=C1c2ccc(CO)cc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.51 | Num_heavy_atoms: | 38 |
| TPSA: | 173.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD57466
Formula: C22H16O5
Smiles:
O=C1c2ccc(CO)cc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.37 | Num_heavy_atoms: | 27 |
| TPSA: | 94.83 | NumAromaticRings: | 3 |
