Glycoside
GD123192
Name:
1,4-dimethyl-7-{2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]propan-2-yl}spiro[4.4]non-1-ene-2-carbaldehydeFormula:
C21H34O6Smiles:
CC1=C(C=O)CC(C)C12CCC(C(C)(C)OC1OC(C)C(O)C(O)C1O)C2Aglycone:
CC1=C(C=O)CC(C)C12CCC(C(C)(C)O)C2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.5 | Num_heavy_atoms: | 27 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD49699
Formula: C15H24O2
Smiles:
CC1=C(C=O)CC(C)C12CCC(C(C)(C)O)C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
