Glycoside
GD006025
Name:
7-demethyl-13-hydroxyglucopiericidin aFormula:
C30H45O10NSmiles:
COc1nc(CC=C(C)CC=CC=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=CC=CC(C)C(O)C(C)=CCO)c(C)c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 14 |
| MolWt: | 579.69 | Num_heavy_atoms: | 41 |
| TPSA: | 171.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD05025
Formula: C24H35O5N
Smiles:
COc1nc(CC=C(C)CC=CC=CC(C)C(O)C(C)=CCO)c(C)c(O)c1OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 417.55 | Num_heavy_atoms: | 30 |
| TPSA: | 92.04 | NumAromaticRings: | 1 |
