Glycoside
GD125408
Name:
(4-{7-hydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl}phenyl)oxidanesulfonic acidFormula:
C21H20O12SSmiles:
O=c1c(-c2ccc(OS(=O)(=O)O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12Aglycone:
O=c1c(-c2ccc(OS(=O)(=O)O)cc2)coc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.45 | Num_heavy_atoms: | 34 |
| TPSA: | 204.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD49866
Formula: C15H10O7S
Smiles:
O=c1c(-c2ccc(OS(=O)(=O)O)cc2)coc2cc(O)ccc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.31 | Num_heavy_atoms: | 23 |
| TPSA: | 114.04 | NumAromaticRings: | 3 |
