Glycoside
GD022848
Name:
Abacopterin DFormula:
C30H38O15Smiles:
COc1ccc([C@@H]2C[C@H](O)c3c(c(C)c4c(c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CO[C@@H]3[C@H](O4)O[C@H](CO)[C@H](O)[C@H]3O)O2)cc1Aglycone:
COc1ccc(C2CC(O)c3c(O)c4c(c(C)c3O2)OC2OC(CO)C(O)C(O)C2OC4)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 638.62 | Num_heavy_atoms: | 45 |
| TPSA: | 226.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD15437
Formula: C24H28O10
Smiles:
COc1ccc(C2CC(O)c3c(O)c4c(c(C)c3O2)OC2OC(CO)C(O)C(O)C2OC4)cc1| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 476.48 | Num_heavy_atoms: | 34 |
| TPSA: | 147.3 | NumAromaticRings: | 2 |
