Glycoside

GD139433
Name:
4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-{5-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl}oxolan-3-yl benzoateFormula:
C33H30O10N4Smiles:
CCOC(=O)CN=c1cnn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(O)n1Aglycone:
CCOC(=O)CN=C1C=N[N]C(O)=N1.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.24 |
AlogP: | 2.65 | Num_rotatable_bonds: | 11 |
MolWt: | 642.62 | Num_heavy_atoms: | 47 |
TPSA: | 177.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1HBA: | 2 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
MolWt: | 122.12 | Num_heavy_atoms: | 9 |
TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1HBA: | 2 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.12 |
AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
MolWt: | 136.15 | Num_heavy_atoms: | 10 |
TPSA: | 26.3 | NumAromaticRings: | 1 |
AD56225
Formula: C7H9O3N4
Smiles:
CCOC(=O)CN=C1C=N[N]C(O)=N1HBA: | 7 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.43 |
AlogP: | -0.53 | Num_rotatable_bonds: | 3 |
MolWt: | 197.17 | Num_heavy_atoms: | 14 |
TPSA: | 97.71 | NumAromaticRings: | 0 |