Glycoside
GD153020
Name:
2-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-oneFormula:
C21H20O14Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c2)oc2c(O)c(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.29 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.38 | Num_heavy_atoms: | 35 |
| TPSA: | 250.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD49631
Formula: C15H10O9
Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)cc(O)c12| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.24 | Num_heavy_atoms: | 24 |
| TPSA: | 171.82 | NumAromaticRings: | 3 |
