Glycoside
GD035740
Name:
(2R,3R,4S,5S,6R)-2-(((2E,4R,5R,6E,8E,11E)-1-Hydroxy-13-(4-Hydroxy-5,6-Dimethoxy-3-Methylpyridin-2-Yl)-3,5,7,11-Tetramethyltrideca-2,6,8,11-Tetraen-4-Yl)Oxy)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3,4,5-TriolFormula:
C31H47O10NSmiles:
COc1nc(CC=C(C)CC=CC(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=CC(C)=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: | 0.58 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 14 |
| MolWt: | 593.71 | Num_heavy_atoms: | 42 |
| TPSA: | 171.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD19891
Formula: C25H37O5N
Smiles:
COc1nc(CC=C(C)CC=CC(C)=CC(C)C(O)C(C)=CCO)c(C)c(O)c1OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 431.57 | Num_heavy_atoms: | 31 |
| TPSA: | 92.04 | NumAromaticRings: | 1 |
