Glycoside
GD150995
Name:
7-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(4-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-3-hydroxyphenyl)-5-hydroxy-4H-chromen-4-oneFormula:
C32H38O20Smiles:
O=c1cc(-c2ccc(OC3OC(C(O)CO)C(O)C3O)c(O)c2)oc2cc(OC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC(O)C1OC(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -4.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 742.64 | Num_heavy_atoms: | 52 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)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 |
