Glycoside
GD029038
Name:
NoneFormula:
C26H31O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCc2ccc3ccccc3c2)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CN(CCc1ccc2ccccc2c1)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 521.58 | Num_heavy_atoms: | 38 |
| TPSA: | 185.87 | 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 |
AD18927
Formula: C17H22O2N2
Smiles:
CN(CCc1ccc2ccccc2c1)CCC(N)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 286.38 | Num_heavy_atoms: | 21 |
| TPSA: | 66.56 | NumAromaticRings: | 2 |
