Glycoside
GD020228
Name:
3-Methyl-3-Buten-1-Ol; O-[β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranoside]Formula:
C17H30O11Smiles:
C=C(C)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=C(C)CCOSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 410.42 | Num_heavy_atoms: | 28 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD09653
Formula: C5H10O
Smiles:
C=C(C)CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
