Glycoside
GD036135
Name:
NoneFormula:
C18H30O5N8Smiles:
NCCCCN(CC[C@H](N)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(CCCCN)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 438.49 | Num_heavy_atoms: | 31 |
| TPSA: | 211.89 | NumAromaticRings: | 2 |
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 |
AD22819
Formula: C9H21O2N3
Smiles:
CN(CCCCN)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 203.29 | Num_heavy_atoms: | 14 |
| TPSA: | 92.58 | NumAromaticRings: | 0 |
