Glycoside
GD005287
Name:
NoneFormula:
C20H31O11N6P2Smiles:
CC(=O)NCCCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@H]1OAglycone:
CC(=O)NCCCCCCCCNc1ncnc2c1N=C[N]2.COP(=O)([O-])OP(=O)([O-])[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 16 |
| MolWt: | 593.45 | Num_heavy_atoms: | 39 |
| TPSA: | 256.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD01377
Formula: CH3O7P2
Smiles:
COP(=O)([O-])OP(=O)([O-])[O-]| HBA: | 7 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 188.98 | Num_heavy_atoms: | 10 |
| TPSA: | 121.78 | NumAromaticRings: | 0 |
AD01397
Formula: C15H23ON6
Smiles:
CC(=O)NCCCCCCCCNc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 303.39 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
