Glycoside
GD035940
Name:
2-({6,7-dihydroxy-7-methyl-1H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C15H22O9Smiles:
C[C@]1(O)[C@@H]2C(=C[C@H]1O)C=CO[C@H]2O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(O)C(O)C=C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.33 | Num_heavy_atoms: | 24 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD22710
Formula: C9H12O4
Smiles:
CC1(O)C(O)C=C2C=COC(O)C21| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
