Glycoside
GD061980
Name:
3,4,5-trihydroxy-6-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)oxane-2-carboxylic acidFormula:
C16H26O7Smiles:
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)C2Aglycone:
CC1(C)C2CCC1(C)C(O)C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.38 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD30278
Formula: C10H18O
Smiles:
CC1(C)C2CCC1(C)C(O)C2| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
