Glycoside
GD146246
Name:
7-{[5-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-oneFormula:
C31H36O20Smiles:
O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(OC3OC(CO)C(OC4OCC(OC5OCC(O)C(O)C5O)C(O)C4O)C(O)C3O)cc(O)c12Aglycone:
O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 728.61 | Num_heavy_atoms: | 51 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD44882
Formula: C15H10O7
Smiles:
O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
