Glycoside
GD140593
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-({[3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-pyran-4-oneFormula:
C17H24O12Smiles:
CC1(CO)COC(OCC2OC(Oc3c(O)occc3=O)C(O)C(O)C2O)C1OAglycone:
O=c1ccoc(O)c1OSugarmoiety:
CC1(CO)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.37 | Num_heavy_atoms: | 29 |
| TPSA: | 188.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD56686
Formula: C5H4O4
Smiles:
O=c1ccoc(O)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.08 | Num_heavy_atoms: | 9 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
