Glycoside
GD134703
Name:
Locoracemoside CFormula:
C29H38O18Smiles:
COc1cc(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3)C2O)cc(OC)c1OCAglycone:
COc1cc(CO)cc(OC)c1OC.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 674.61 | Num_heavy_atoms: | 47 |
| TPSA: | 272.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD18475
Formula: C10H14O4
Smiles:
COc1cc(CO)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
