Glycoside
GD127265
Name:
methyl 5-ethyl-4-[2-oxo-2-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)ethyl]pyridine-3-carboxylateFormula:
C25H31O10NSmiles:
CCc1cncc(C(=O)OC)c1CC(=O)OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1OAglycone:
CCc1cncc(C(=O)OC)c1CC(=O)OC.OCCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 505.52 | Num_heavy_atoms: | 36 |
| TPSA: | 164.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD51529
Formula: C12H15O4N
Smiles:
CCc1cncc(C(=O)OC)c1CC(=O)OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 237.25 | Num_heavy_atoms: | 17 |
| TPSA: | 65.49 | NumAromaticRings: | 1 |
