Glycoside
GD012847
Name:
NoneFormula:
C16H23O15N5P2Smiles:
C[C@@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])OP(=O)([O-])O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
CC1OOC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -4.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 587.33 | Num_heavy_atoms: | 38 |
| TPSA: | 317.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD00984
Formula: CH4O7P2
Smiles:
COP(=O)([O-])OP(=O)([O-])O| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.98 | Num_heavy_atoms: | 10 |
| TPSA: | 118.95 | NumAromaticRings: | 0 |
