Glycoside
GD151110
Name:
2-{[6-hydroxy-2-(3-hydroxy-4-methylidenecyclohexyl)-6-methylhept-4-en-2-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C21H36O7Smiles:
C=C1CCC(C(C)(CC=CC(C)(C)O)OC2OC(C)C(O)C(O)C2O)CC1OAglycone:
C=C1CCC(C(C)(O)CC=CC(C)(C)O)CC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.51 | Num_heavy_atoms: | 28 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD60299
Formula: C15H26O3
Smiles:
C=C1CCC(C(C)(O)CC=CC(C)(C)O)CC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
