Glycoside
GD017045
Name:
NoneFormula:
C11H18O13N4P2Smiles:
COC(=O)NN=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COC(=O)NN=c1cc[nH]c(=O)[nH]1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.23 | Num_heavy_atoms: | 30 |
| TPSA: | 251.46 | NumAromaticRings: | 1 |
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 |
AD12212
Formula: C6H8O3N4
Smiles:
COC(=O)NN=c1cc[nH]c(=O)[nH]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.16 | Num_heavy_atoms: | 13 |
| TPSA: | 99.34 | NumAromaticRings: | 1 |
