Glycoside
GD153721
Name:
9,12-dihydroxy-4,11,15-trimethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,7-dioxapentacyclo[8.8.0.0¹,âµ.0â´,â¸.0¹¹,¹â¶]octadec-14-ene-6,18-dioneFormula:
C25H34O12Smiles:
CC1=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C2(C)C1CC(=O)C13COC4(C)C(OC(=O)C41)C(O)C32Aglycone:
CC1=CC(O)C(O)C2(C)C1CC(=O)C13COC4(C)C(OC(=O)C41)C(O)C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 526.54 | Num_heavy_atoms: | 37 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD61107
Formula: C19H24O7
Smiles:
CC1=CC(O)C(O)C2(C)C1CC(=O)C13COC4(C)C(OC(=O)C41)C(O)C32| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 364.39 | Num_heavy_atoms: | 26 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
