Glycoside
GD130480
Name:
ErinosideFormula:
C16H20O11Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2=C(C(=O)O)CCC12Aglycone:
O=C(O)C1=COC(O)C2=C(C(=O)O)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.33 | Num_heavy_atoms: | 27 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD52879
Formula: C10H10O6
Smiles:
O=C(O)C1=COC(O)C2=C(C(=O)O)CCC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.18 | Num_heavy_atoms: | 16 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
