Glycoside
GD143908
Name:
11,11-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10-dioxatricyclo[7.4.0.0²,â¶]trideca-1,6,8-triene-5,13-dioneFormula:
C19H22O10Smiles:
CC1(C)CC(=O)c2c(cc(OC3OC(CO)C(O)C(O)C3O)c3c2COC3=O)O1Aglycone:
CC1(C)CC(=O)c2c(cc(O)c3c2COC3=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.38 | Num_heavy_atoms: | 29 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD57857
Formula: C13H12O5
Smiles:
CC1(C)CC(=O)c2c(cc(O)c3c2COC3=O)O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 72.83 | NumAromaticRings: | 1 |
