Glycoside
GD145514
Name:
8-hydroxy-1-methoxy-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,9,10-tetrahydroanthracene-9,10-dioneFormula:
C22H24O10Smiles:
COC1=C2C(=O)c3c(O)cccc3C(=O)C2=CC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COC1=C2C(=O)c3c(O)cccc3C(=O)C2=CC(C)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD58409
Formula: C16H14O5
Smiles:
COC1=C2C(=O)c3c(O)cccc3C(=O)C2=CC(C)C1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
