Glycoside
GD118460
Name:
Erinacine KFormula:
C27H42O8Smiles:
CC(=O)OCC1=CC(OC2OCC(O)C(O)C2O)C2(C)CCC3(C)CCC(C(C)C)=C3C2CC1OAglycone:
CC(=O)OCC1=CC(O)C2(C)CCC3(C)CCC(C(C)C)=C3C2CC1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.63 | Num_heavy_atoms: | 35 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47370
Formula: C22H34O4
Smiles:
CC(=O)OCC1=CC(O)C2(C)CCC3(C)CCC(C(C)C)=C3C2CC1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.51 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
