Glycoside
GD005214
Name:
7,10-dihydroxy-5-methoxy-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:
C27H32O16Smiles:
COc1c2cc(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c2c(O)c2c(=O)oc(C)cc12Aglycone:
COc1c2cc(O)cc(O)c2c(O)c2c(=O)oc(C)cc12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD04455
Formula: C15H12O6
Smiles:
COc1c2cc(O)cc(O)c2c(O)c2c(=O)oc(C)cc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
