Glycoside
GD002692
Name:
ABACOPTERIN IFormula:
C30H38O14Smiles:
COc1ccc([C@@H]2C[C@@H]3O[C@@H]4[C@H](Oc5c(C)c(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c(C)c(c53)O2)O[C@H](CO)[C@H](O)[C@H]4O)cc1Aglycone:
COc1ccc(C2CC3OC4C(Oc5c(C)c(O)c(C)c(c53)O2)OC(CO)C(O)C4O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 622.62 | Num_heavy_atoms: | 44 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD02538
Formula: C24H28O9
Smiles:
COc1ccc(C2CC3OC4C(Oc5c(C)c(O)c(C)c(c53)O2)OC(CO)C(O)C4O)cc1| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 460.48 | Num_heavy_atoms: | 33 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
