Glycoside
GD076539
Name:
6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,4H-cyclopenta[c]chromen-4-oneFormula:
C19H22O8Smiles:
Cc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc2c3c(c(=O)oc12)CCC3Aglycone:
Cc1c(O)ccc2c3c(c(=O)oc12)CCC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 129.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD30269
Formula: C13H12O3
Smiles:
Cc1c(O)ccc2c3c(c(=O)oc12)CCC3| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
