Glycoside
GD037645
Name:
guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)Formula:
C10H18O20N5P5Smiles:
Nc1nc2c(ncn2[C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](OP(=O)(O)OP(=O)(O)O)[C@@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=P(O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 683.14 | Num_heavy_atoms: | 40 |
| TPSA: | 392.16 | 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 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD20397
Formula: H4O7P2
Smiles:
O=P(O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.97 | Num_heavy_atoms: | 9 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
