Glycoside
GD149196
Name:
5,7-dihydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C32H38O20Smiles:
O=c1c(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 742.64 | Num_heavy_atoms: | 52 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
