Glycoside
GD135510
Name:
2-{[5-hydroxy-2-(3-hydroxy-4-methylidenecyclohexyl)-6-methylhept-6-en-2-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C21H36O7Smiles:
C=C(C)C(O)CCC(C)(OC1OC(C)C(O)C(O)C1O)C1CCC(=C)C(O)C1Aglycone:
C=C(C)C(O)CCC(C)(O)C1CCC(=C)C(O)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.51 | Num_heavy_atoms: | 28 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD54791
Formula: C15H26O3
Smiles:
C=C(C)C(O)CCC(C)(O)C1CCC(=C)C(O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
