Glycoside
GD024309
Name:
NoneFormula:
C12H21O15N5P4Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](OP(=O)(O)CP(=O)(O)O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=P(O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.22 | Num_heavy_atoms: | 36 |
| TPSA: | 327.17 | 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 |
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD16238
Formula: CH6O6P2
Smiles:
O=P(O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
