Glycoside
GD135418
Name:
1,3-dihydroxy-9,10-dioxo-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-2-carboxylic acidFormula:
C26H26O16Smiles:
O=C(O)c1c(O)c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c2c(c1O)C(=O)c1ccccc1C2=OAglycone:
O=C(O)c1c(O)c(O)c2c(c1O)C(=O)c1ccccc1C2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.48 | Num_heavy_atoms: | 42 |
| TPSA: | 270.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD54756
Formula: C15H8O7
Smiles:
O=C(O)c1c(O)c(O)c2c(c1O)C(=O)c1ccccc1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.22 | Num_heavy_atoms: | 22 |
| TPSA: | 132.13 | NumAromaticRings: | 2 |
