Glycoside
GD138043
Name:
8-[4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]-4H-chromen-4-oneFormula:
C26H28O15Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(O)C(O)C3CO)c(O)c(C3C(CO)OC(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1C(O)OC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.42 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 271.2 | 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 |
