Glycoside
GD126010
Name:
2-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-3,5-dihydroxyoxan-4-yl acetateFormula:
C22H20O13Smiles:
CC(=O)OC1C(O)COC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C1OAglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.39 | Num_heavy_atoms: | 35 |
| TPSA: | 216.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD01074
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
