Glycoside
GD116802
Name:
2-{[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}oxane-3,4,5-triolFormula:
C30H45O9NSmiles:
COc1nc(CC=C(C)CC=CC(C)=CC(C)C(OC2OCC(O)C(O)C2O)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:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 563.69 | Num_heavy_atoms: | 40 |
| TPSA: | 150.96 | 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 |
