Glycoside
GD150404
Name:
2,3,5-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C15H16O11Smiles:
O=c1c(O)c(O)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12Aglycone:
O=c1c(O)c(O)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.28 | Num_heavy_atoms: | 26 |
| TPSA: | 190.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD60082
Formula: C9H6O6
Smiles:
O=c1c(O)c(O)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 210.14 | Num_heavy_atoms: | 15 |
| TPSA: | 111.13 | NumAromaticRings: | 2 |
