Glycoside
GD141692
Name:
1-{1-hydroxy-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:
C25H32O12Smiles:
CC(=O)c1c(C)cc2cccc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c2c1OAglycone:
CC(=O)c1c(C)cc2cccc(O)c2c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD02570
Formula: C13H12O3
Smiles:
CC(=O)c1c(C)cc2cccc(O)c2c1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
