Glycoside
GD001996
Name:
10-hydroxy-5,7-dimethoxy-3-methyl-9-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-benzo[g]isochromen-1-oneFormula:
C28H34O16Smiles:
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(=O)oc(C)cc3c(OC)c2c1Aglycone:
COc1cc(O)c2c(O)c3c(=O)oc(C)cc3c(OC)c2c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD01943
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(O)c3c(=O)oc(C)cc3c(OC)c2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
