Glycoside
GD123948
Name:
Scabran G3Formula:
C28H40O19Smiles:
C=CC1C2=CCOC(=O)C2=COC1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
C=CC1C2=CCOC(=O)C2=COC1OSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -6.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 680.61 | Num_heavy_atoms: | 47 |
| TPSA: | 293.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00479
Formula: C10H10O4
Smiles:
C=CC1C2=CCOC(=O)C2=COC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
