Glycoside
GD152631
Name:
Erinacine UFormula:
C26H40O7Smiles:
COC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=OAglycone:
COC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(O)C=C1C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.6 | Num_heavy_atoms: | 33 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD60758
Formula: C21H32O3
Smiles:
COC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(O)C=C1C=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.48 | Num_heavy_atoms: | 24 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
