Glycoside
GD123996
Name:
5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C20H20O12Smiles:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1OC1OCC(O)C(O)C1OAglycone:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 452.37 | Num_heavy_atoms: | 32 |
| TPSA: | 206.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD46522
Formula: C15H12O8
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.25 | Num_heavy_atoms: | 23 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
