Glycoside
GD018381
Name:
LIGRAMINOL BFormula:
C28H38O14Smiles:
COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COc1cc(C2OC(c3cc(OC)c(O)c(OC)c3)C(CO)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 598.6 | Num_heavy_atoms: | 42 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD07747
Formula: C22H28O9
Smiles:
COc1cc(C2OC(c3cc(OC)c(O)c(OC)c3)C(CO)C2CO)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
