Glycoside
GD121212
Name:
N-[2-({4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl}oxy)-6-{2-[3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]-2-hydroxyethyl}-4,5-dihydroxyoxan-3-yl]heptadec-2-enimidic acidFormula:
C40H66O16N4Smiles:
CCCCCCCCCCCCCCC=CC(O)=NC1C(OC2OC(CO)C(O)C(O)C2N=C(C)O)OC(CC(O)C2OC(n3ccc(O)nc3=O)C(O)C2O)C(O)C1OAglycone:
CCCCCCCCCCCCCCC=CC(=N)O.O=c1nc(O)cc[nH]1Sugarmoiety:
CC(O)=NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.8 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 23 |
| MolWt: | 858.98 | Num_heavy_atoms: | 60 |
| TPSA: | 319.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD48765
Formula: C17H33ON
Smiles:
CCCCCCCCCCCCCCC=CC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 14 |
| MolWt: | 267.46 | Num_heavy_atoms: | 19 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
