Glycoside
GD129610
Name:
1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C21H22O9Smiles:
CC1=CC2C(=O)c3cccc(OC4OC(CO)C(O)C(O)C4O)c3C(=O)C2C(O)=C1Aglycone:
CC1=CC2C(=O)c3cccc(O)c3C(=O)C2C(O)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD49197
Formula: C15H12O4
Smiles:
CC1=CC2C(=O)c3cccc(O)c3C(=O)C2C(O)=C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
