Glycoside
GD157625
Name:
GrandiflorosideFormula:
C25H30O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CCOC(=O)C=Cc1ccc(O)c(O)c1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD62301
Formula: C19H20O8
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
