Glycoside
GD015576
Name:
(+)-SYRINGARESINOLGLUCOSIDEFormula:
C30H40O13Smiles:
COc1cc([C@@H]2OC[C@]3(C)[C@H](c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23C)cc(OC)c1OAglycone:
COc1cc(C2OCC3(C)C(c4cc(OC)c(O)c(OC)c4)OCC23C)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.64 | Num_heavy_atoms: | 43 |
| TPSA: | 174.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD11305
Formula: C24H30O8
Smiles:
COc1cc(C2OCC3(C)C(c4cc(OC)c(O)c(OC)c4)OCC23C)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
