Glycoside
GD123474
Name:
3,8-dimethyl-5-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1,2,4,5,6,7,8,8a-octahydroazulen-2-oneFormula:
C21H34O7Smiles:
CC1=C2CC(C(C)(C)OC3OC(CO)C(O)C(O)C3O)CCC(C)C2CC1=OAglycone:
CC1=C2CC(C(C)(C)O)CCC(C)C2CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.5 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD49835
Formula: C15H24O2
Smiles:
CC1=C2CC(C(C)(C)O)CCC(C)C2CC1=O| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
