Glycoside
GD114404
Name:
1-{1,5-dihydroxy-3-methyl-8-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]naphthalen-2-yl}ethan-1-oneFormula:
C25H32O13Smiles:
CC(=O)c1c(C)cc2c(O)ccc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c2c1OAglycone:
CC(=O)c1c(C)cc2c(O)ccc(O)c2c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD45038
Formula: C13H12O4
Smiles:
CC(=O)c1c(C)cc2c(O)ccc(O)c2c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.23 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
