Glycoside
GD145621
Name:
(1S,3S)-Austrocortirubin 8-O-Î’-D-GentiobiosideFormula:
C28H36O17Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1O)C(=O)C1=C(C2=O)C(O)CC(C)(O)C1Aglycone:
COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)C(O)CC(C)(O)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 644.58 | Num_heavy_atoms: | 45 |
| TPSA: | 282.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD58435
Formula: C16H16O7
Smiles:
COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)C(O)CC(C)(O)C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
