Glycoside
GD022246
Name:
3-(2H-1,3-benzodioxol-5-yl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C28H30O14Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3ccc4c(=O)c(-c5ccc6c(c5)OCO6)coc4c3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 590.53 | Num_heavy_atoms: | 42 |
| TPSA: | 206.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD04500
Formula: C16H10O5
Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.25 | Num_heavy_atoms: | 21 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
