Glycoside
GD033344
Name:
Erinacine AFormula:
C25H36O6Smiles:
CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@]3(C)CC[C@@]2(C)CC1Aglycone:
CC(C)C1=C2C3=CC=C(C=O)CC(O)C3(C)CCC2(C)CC1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD21292
Formula: C20H28O2
Smiles:
CC(C)C1=C2C3=CC=C(C=O)CC(O)C3(C)CCC2(C)CC1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.44 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
