Glycoside
GD129050
Name:
4,5,17-trihydroxy-6,14,18-trimethyl-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:
C26H36O13Smiles:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42Aglycone:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(C)C(O)C4(O)OCC13C42Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 556.56 | Num_heavy_atoms: | 39 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD52272
Formula: C20H26O8
Smiles:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(C)C(O)C4(O)OCC13C42| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 0 |
| MolWt: | 394.42 | Num_heavy_atoms: | 28 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
