Glycoside
GD128891
Name:
7,8-dihydroxy-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2H-chromen-2-oneFormula:
C21H26O15Smiles:
O=c1ccc2c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c(O)c2o1Aglycone:
O=c1ccc2c(O)cc(O)c(O)c2o1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -3.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.42 | Num_heavy_atoms: | 36 |
| TPSA: | 249.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD45363
Formula: C9H6O5
Smiles:
O=c1ccc2c(O)cc(O)c(O)c2o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 194.14 | Num_heavy_atoms: | 14 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
