Glycoside
GD142908
Name:
NoneFormula:
C14H24O8N2Smiles:
CC(C)N=C(O)CC1OC(CN=C(O)COCC(=O)O)C(O)C1OAglycone:
CC(O)=NC(C)C.CN=C(O)COCC(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 348.35 | Num_heavy_atoms: | 24 |
| TPSA: | 161.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD45654
Formula: C5H11ON
Smiles:
CC(O)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD57497
Formula: C5H9O4N
Smiles:
CN=C(O)COCC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 147.13 | Num_heavy_atoms: | 10 |
| TPSA: | 79.12 | NumAromaticRings: | 0 |
