Glycoside
GD038783
Name:
1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihyroxy-7-methylanthraceneFormula:
C21H24O7Smiles:
CO[C@@H](C(=O)[C@@H](O)[C@H](C)O)[C@@H]1CC(=O)c2c(cc3ccc(C)c(O)c3c2O)C1Aglycone:
Cc1ccc2cc3c(c(O)c2c1O)C(=O)CCC3Sugarmoiety:
COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD24140
Formula: C15H14O3
Smiles:
Cc1ccc2cc3c(c(O)c2c1O)C(=O)CCC3| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
