Glycoside
GD015581
Name:
2-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C21H36O10Smiles:
CC1=CC[C@H](C(C)(C)O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)CC1Aglycone:
CC1=CCC(C(C)(C)O)CC1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.51 | Num_heavy_atoms: | 31 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD02252
Formula: C10H18O
Smiles:
CC1=CCC(C(C)(C)O)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
