Glycoside
GD036428
Name:
6'-O-Sinapoyljasminoside AFormula:
C27H36O11Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](OC[C@@H]3C(C)=CC(=O)CC3(C)C)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
CC1=CC(=O)CC(C)(C)C1CO.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD21838
Formula: C10H16O2
Smiles:
CC1=CC(=O)CC(C)(C)C1CO| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
