Glycoside
GD123714
Name:
2-(1,2-dihydroxyethyl)-5-[(2-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]amino}-4,5-dimethylphenyl)amino]oxolane-3,4-diolFormula:
C20H32O10N2Smiles:
Cc1cc(NC2OC(C(O)CO)C(O)C2O)c(NC2OC(C(O)CO)C(O)C2O)cc1CAglycone:
Cc1cc(N)c(N)cc1CSugarmoiety:
OCC(O)C1OC(O)C(O)C1O.OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 204.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD25268
Formula: C8H12N2
Smiles:
Cc1cc(N)c(N)cc1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.2 | Num_heavy_atoms: | 10 |
| TPSA: | 52.04 | NumAromaticRings: | 1 |
