Glycoside
GD025716
Name:
5-hydroxy-6-hydroxymethyl-13-hydroxyglucopiericidin aFormula:
C32H51O12NSmiles:
COc1nc(CC=C(C)C[C@H](O)[C@H](OC)C(C)=C[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)=CCO)c(C)c(O)c1OCAglycone:
COc1nc(CC=C(C)CC(O)C(OC)C(C)=CC(C)C(O)C(C)=CCO)c(C)c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 16 |
| MolWt: | 641.76 | Num_heavy_atoms: | 45 |
| TPSA: | 200.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD17021
Formula: C26H41O7N
Smiles:
COc1nc(CC=C(C)CC(O)C(OC)C(C)=CC(C)C(O)C(C)=CCO)c(C)c(O)c1OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 13 |
| MolWt: | 479.61 | Num_heavy_atoms: | 34 |
| TPSA: | 121.5 | NumAromaticRings: | 1 |
