Glycoside
GD145951
Name:
crotonionoside aFormula:
C29H42O11Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3CC(C)C(O)(C=CC(C)O)C(C)(C)C3)C(O)C(O)C2O)ccc1OAglycone:
CC(O)C=CC1(O)C(C)CC(O)CC1(C)C.COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.64 | 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 |
AD02668
Formula: C13H24O3
Smiles:
CC(O)C=CC1(O)C(C)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.33 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
