Glycoside

GD114200
Name:
[3,4-bis(acetyloxy)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)oxolan-2-yl]methyl acetateFormula:
C20H24O7N2Smiles:
CC(=O)OCC1OC(n2cnc3cc(C)c(C)cc32)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1cc2c(cc1C)N=C[N]2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
HBA: | 9 | RingCount: | 3 |
HBD: | 0 | FractionCSP3: | 0.5 |
AlogP: | 1.98 | Num_rotatable_bonds: | 5 |
MolWt: | 404.42 | Num_heavy_atoms: | 29 |
TPSA: | 105.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD23668
Formula: C9H9N2
Smiles:
Cc1cc2c(cc1C)N=C[N]2HBA: | 2 | RingCount: | 2 |
HBD: | 0 | FractionCSP3: | 0.22 |
AlogP: | 2.21 | Num_rotatable_bonds: | 0 |
MolWt: | 145.19 | Num_heavy_atoms: | 11 |
TPSA: | 26.46 | NumAromaticRings: | 1 |