Glycoside
GD157701
Name:
9-ethoxy-3a,5a-dimethyl-1-(propan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]indene-8-carbaldehydeFormula:
C27H42O7Smiles:
CCOC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=OAglycone:
CCOC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(O)C=C1C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.63 | Num_heavy_atoms: | 34 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD62326
Formula: C22H34O3
Smiles:
CCOC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(O)C=C1C=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.51 | Num_heavy_atoms: | 25 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
