Glycoside
GD009998
Name:
NoneFormula:
C18H22O6N6Smiles:
Nc1ccn([C@@H]2O[C@H](CNC(=O)[C@H](Cc3cccnc3)NC=O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNC(=O)C(Cc1cccnc1)NC=O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.41 | Num_heavy_atoms: | 30 |
| TPSA: | 181.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD07777
Formula: C10H13O2N3
Smiles:
CNC(=O)C(Cc1cccnc1)NC=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 207.23 | Num_heavy_atoms: | 15 |
| TPSA: | 71.09 | NumAromaticRings: | 1 |
