Glycoside
GD133166
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[4-(6-methylhept-5-en-2-yl)cyclohexyl]methoxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H48O11Smiles:
CC(C)=CCCC(C)C1CCC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)CC1Aglycone:
CC(C)=CCCC(C)C1CCC(CO)CC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 548.67 | Num_heavy_atoms: | 38 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD53910
Formula: C15H28O
Smiles:
CC(C)=CCCC(C)C1CCC(CO)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.39 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
