Glycoside
GD120738
Name:
4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanalFormula:
C19H34O15Smiles:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2CC(CO)C(O)C(O)C2O)C1O)C(O)COAglycone:
OCC1CC(O)C(O)C(O)C1OSugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -7.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 502.47 | Num_heavy_atoms: | 34 |
| TPSA: | 267.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
