Glycoside
GD119387
Name:
7-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C27H30O15Smiles:
O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)cc12Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 260.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD04748
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
