Glycoside
GD007278
Name:
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carboxylic acidFormula:
C22H20O14Smiles:
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(O[C@@H]3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=OAglycone:
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(O)c(O)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.39 | Num_heavy_atoms: | 36 |
| TPSA: | 251.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD05936
Formula: C16H10O9
Smiles:
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(O)c(O)c(O)c1C2=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.25 | Num_heavy_atoms: | 25 |
| TPSA: | 172.59 | NumAromaticRings: | 2 |
