Glycoside
GD017133
Name:
ShamiminFormula:
C21H20O13Smiles:
O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.29 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 480.38 | Num_heavy_atoms: | 34 |
| TPSA: | 241.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD12267
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
