Glycoside
GD015451
Name:
NoneFormula:
C15H22O12N6P2Smiles:
C=CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@H]1OAglycone:
C=CC(=O)NCCOP(=O)(O)OP(=O)(O)OC.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 540.32 | Num_heavy_atoms: | 35 |
| TPSA: | 270.67 | 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 |
AD11226
Formula: C6H13O8NP2
Smiles:
C=CC(=O)NCCOP(=O)(O)OP(=O)(O)OC| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 289.12 | Num_heavy_atoms: | 17 |
| TPSA: | 131.39 | NumAromaticRings: | 0 |
