Glycoside
GD017455
Name:
2,8,8-trimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H,6H,7H,8H-pyrano[3,2-g]chromen-4-oneFormula:
C21H26O9Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 138.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD12449
Formula: C15H16O4
Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(O)C3| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
