Glycoside
GD120021
Name:
2-(hydroxymethyl)-6-{[3,5,5-trimethyl-4-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)cyclohex-3-en-1-yl]oxy}oxane-3,4,5-triolFormula:
C25H44O12Smiles:
CC1=C(CCC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)C1Aglycone:
CC1=C(CCC(C)O)C(C)(C)CC(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 536.62 | Num_heavy_atoms: | 37 |
| TPSA: | 198.76 | 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 |
