Glycoside
GD146920
Name:
4,5,17-trihydroxy-6-(hydroxymethyl)-14,18-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,â·.0â´,¹â¹.0¹³,¹â¸]nonadec-14-ene-9,16-dioneFormula:
C26H36O14Smiles:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(CO)C(O)C4(O)OCC13C42Aglycone:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(CO)C(O)C4(O)OCC13C42Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 572.56 | Num_heavy_atoms: | 40 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD54477
Formula: C20H26O9
Smiles:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(CO)C(O)C4(O)OCC13C42| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 410.42 | Num_heavy_atoms: | 29 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
