Glycoside
GD012624
Name:
NoneFormula:
C16H28O10N6P2Smiles:
NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)OAglycone:
COP(=O)(O)O.NCCCCCCNc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 526.38 | Num_heavy_atoms: | 34 |
| TPSA: | 244.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD09501
Formula: C11H17N6
Smiles:
NCCCCCCNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 233.3 | Num_heavy_atoms: | 17 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
