Glycoside
GD123145
Name:
7-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-2-(4-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}phenyl)-5,6-dihydroxy-4H-chromen-4-oneFormula:
C27H30O14Smiles:
CC(O)C1OC(Oc2ccc(-c3cc(=O)c4c(O)c(O)c(OC5OC(C(C)O)C(O)C5O)cc4o3)cc2)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
CC(O)C1OC(O)C(O)C1O.CC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00690
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(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 |
