Glycoside
GD000409
Name:
NoneFormula:
C18H30O11N6P2Smiles:
CC(=O)N(C)CCCCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CC(=O)N(C)CCCCN(C)c1ncnc2c1N=C[N]2.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 12 |
| MolWt: | 568.42 | Num_heavy_atoms: | 37 |
| TPSA: | 230.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD00459
Formula: C13H19ON6
Smiles:
CC(=O)N(C)CCCCN(C)c1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.34 | Num_heavy_atoms: | 20 |
| TPSA: | 75.79 | NumAromaticRings: | 1 |
