Glycoside
GD145393
Name:
Erinacine PFormula:
C27H40O8Smiles:
CC(=O)OC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=OAglycone:
CC(=O)OC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(O)C=C1C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.61 | Num_heavy_atoms: | 35 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD58364
Formula: C22H32O4
Smiles:
CC(=O)OC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(O)C=C1C=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.49 | Num_heavy_atoms: | 26 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
