Glycoside
GD118500
Name:
4'-Deoxybutirosin AFormula:
C21H41O11N5Smiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CC(O)C2N)C(OC2OC(CO)C(O)C2O)C1OAglycone:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CC(O)C2N)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -5.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 539.58 | Num_heavy_atoms: | 37 |
| TPSA: | 294.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD47391
Formula: C16H33O7N5
Smiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CC(O)C2N)C(O)C1O| HBA: | 12 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.94 |
| AlogP: | -4.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.47 | Num_heavy_atoms: | 28 |
| TPSA: | 236.05 | NumAromaticRings: | 0 |
