Glycoside
GD142247
Name:
Erinacine TFormula:
C25H38O7Smiles:
CC(C)C1=C2C3CC(O)C(C=O)=CC(OC4OCC(O)C(O)C4O)C3(C)CCC2(C)CC1Aglycone:
CC(C)C1=C2C3CC(O)C(C=O)=CC(O)C3(C)CCC2(C)CC1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.57 | Num_heavy_atoms: | 32 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD57253
Formula: C20H30O3
Smiles:
CC(C)C1=C2C3CC(O)C(C=O)=CC(O)C3(C)CCC2(C)CC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
