Glycoside
GD131309
Name:
4-[2-(7,8-dimethyl-3-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[1,8a-c]furan-7-yl)ethyl]-2,5-dihydrofuran-2-oneFormula:
C26H36O10Smiles:
CC1CCC23COC(=O)C2=CC(OC2OC(CO)C(O)C(O)C2O)CC3C1(C)CCC1=CC(=O)OC1Aglycone:
CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.56 | Num_heavy_atoms: | 36 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD53202
Formula: C20H26O5
Smiles:
CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=CC(=O)OC1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
