Glycoside
GD126543
Name:
Jaslanceoside CFormula:
C27H32O15Smiles:
COC(=O)CC1C(C(=O)O)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CCOC(=O)C=Cc1ccc(O)c(OC)c1Aglycone:
COC(=O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 227.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD51217
Formula: C21H22O10
Smiles:
COC(=O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 148.82 | NumAromaticRings: | 1 |
