Glycoside
GD014889
Name:
10-hydroxy-5,7-dimethoxy-3-methyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-benzo[g]isochromen-1-oneFormula:
C22H24O11Smiles:
COc1cc(O[C@@H]2O[C@H](CO)[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(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 168.28 | 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 |
