Glycoside
GD035323
Name:
NoneFormula:
C22H29O7N11Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCCO[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNCCO.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 559.54 | Num_heavy_atoms: | 40 |
| TPSA: | 259.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13978
Formula: C3H9ON
Smiles:
CNCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 75.11 | Num_heavy_atoms: | 5 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
