Glycoside
GD003223
Name:
NoneFormula:
C13H20O5N2Smiles:
Cc1cn([C@@H]2C[C@H](O)[C@H](OC(C)(C)C)O2)c(=O)[nH]c1=OAglycone:
CC(C)(C)O.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.31 | Num_heavy_atoms: | 20 |
| TPSA: | 93.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD02940
Formula: C4H10O
Smiles:
CC(C)(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
