Glycoside
GD070653
Name:
6-[2,6-bis(propan-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C18H26O7Smiles:
CC(C)c1cccc(C(C)C)c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)c1cccc(C(C)C)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.4 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD33467
Formula: C12H18O
Smiles:
CC(C)c1cccc(C(C)C)c1O| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.27 | Num_heavy_atoms: | 13 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
