Glycoside
GD132736
Name:
crotonionoside gFormula:
C29H40O11Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3CC(C)(C)C(C=CC(C)O)=C(C)C3O)C(O)C(O)C2O)ccc1OAglycone:
CC1=C(C=CC(C)O)C(C)(C)CC(O)C1O.COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.63 | Num_heavy_atoms: | 40 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD45388
Formula: C13H22O3
Smiles:
CC1=C(C=CC(C)O)C(C)(C)CC(O)C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
