Glycoside
GD100130
Name:
4-methoxy-7-methyl-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2H,3H,5H-furo[3,2-g]chromen-5-oneFormula:
C22H28O10Smiles:
COc1c2c(cc3oc(C)cc(=O)c13)O[C@H](C(C)(C)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2Aglycone:
COc1c2c(cc3oc(C)cc(=O)c13)OC(C(C)(C)O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 148.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD04066
Formula: C16H18O5
Smiles:
COc1c2c(cc3oc(C)cc(=O)c13)OC(C(C)(C)O)C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.31 | Num_heavy_atoms: | 21 |
| TPSA: | 68.9 | NumAromaticRings: | 2 |
