Glycoside
GD152430
Name:
2-[(4,5-dihydroxy-2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C25H44O11Smiles:
CC1=C(CCC(C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(C)(C)CC(O)C1Aglycone:
CC1=C(CCC(C)O)C(C)(C)CC(O)C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.62 | Num_heavy_atoms: | 36 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD17371
Formula: C13H24O2
Smiles:
CC1=C(CCC(C)O)C(C)(C)CC(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.33 | Num_heavy_atoms: | 15 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
