Glycoside
GD027393
Name:
1,8-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-oneFormula:
C21H22O8Smiles:
Cc1cc(O)c2c(c1)[C@H]([C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cccc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 402.4 | Num_heavy_atoms: | 29 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD00259
Formula: C15H12O3
Smiles:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 240.26 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
