Glycoside
GD034131
Name:
NoneFormula:
C15H22O6N6Smiles:
CCN(CC)C(=O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@H]1OAglycone:
CCN(CC)C(=O)OC.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.38 | Num_heavy_atoms: | 27 |
| TPSA: | 168.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD21728
Formula: C6H13O2N
Smiles:
CCN(CC)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 131.17 | Num_heavy_atoms: | 9 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
