Glycoside
GD117002
Name:
Canthoside BFormula:
C19H28O13Smiles:
COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(O)cc(OC)c1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.42 | Num_heavy_atoms: | 32 |
| TPSA: | 196.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD02608
Formula: C8H10O4
Smiles:
COc1cc(O)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
