Glycoside
GD146397
Name:
Erinacine RFormula:
C27H38O9Smiles:
CC(=O)OC1CC2C3=C(C(C)C)CCC3(C)C(=O)CC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=OAglycone:
CC(=O)OC1CC2C3=C(C(C)C)CCC3(C)C(=O)CC2(C)C(O)C=C1C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.59 | Num_heavy_atoms: | 36 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD58704
Formula: C22H30O5
Smiles:
CC(=O)OC1CC2C3=C(C(C)C)CCC3(C)C(=O)CC2(C)C(O)C=C1C=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.48 | Num_heavy_atoms: | 27 |
| TPSA: | 80.67 | NumAromaticRings: | 0 |
