Glycoside
GD150998
Name:
NoneFormula:
C15H23O10N5P2Smiles:
CC(C)=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1OAglycone:
CC(C)=CCNc1ncnc2c1N=C[N]2.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 495.32 | Num_heavy_atoms: | 32 |
| TPSA: | 218.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00133
Formula: C10H12N5
Smiles:
CC(C)=CCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
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 |
