Glycoside
GD128543
Name:
sodium emodin-1-o-beta-gentiobiosideFormula:
C27H30O15Smiles:
Cc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 253.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00700
Formula: C15H10O5
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
