Glycoside
GD140720
Name:
6-hydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2H-chromen-2-oneFormula:
C21H26O13Smiles:
CC1OC(OCC2OC(Oc3cc4oc(=O)ccc4cc3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1ccc2cc(O)c(O)cc2o1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.43 | Num_heavy_atoms: | 34 |
| TPSA: | 208.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD03223
Formula: C9H6O4
Smiles:
O=c1ccc2cc(O)c(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
