Glycoside
GD142410
Name:
1,4-dihydroxy-2-methoxy-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C22H22O11Smiles:
COc1c(C)c(O)c2c(c1O)C(=O)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=OAglycone:
COc1c(C)c(O)c2c(c1O)C(=O)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD57311
Formula: C16H12O6
Smiles:
COc1c(C)c(O)c2c(c1O)C(=O)c1cccc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
