Glycoside
GD013397
Name:
NoneFormula:
C27H30O7N7PSmiles:
Nc1nc([O-])c2c(n1)n([C@@H]1O[C@H](COP(=O)(O)NCCc3c[nH]c4ccccc34)[C@H](O)[C@H]1O)c[n+]2Cc1ccccc1Aglycone:
COP(=O)(O)NCCc1c[nH]c2ccccc12.Nc1nc([O-])c2c(n1)[N]C=[N+]2Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 595.55 | Num_heavy_atoms: | 42 |
| TPSA: | 207.71 | NumAromaticRings: | 5 |
Unique Aglycone
AD04082
Formula: C11H15O3N2P
Smiles:
COP(=O)(O)NCCc1c[nH]c2ccccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.23 | Num_heavy_atoms: | 17 |
| TPSA: | 74.35 | NumAromaticRings: | 2 |
AD10002
Formula: C12H10ON5
Smiles:
Nc1nc([O-])c2c(n1)[N]C=[N+]2Cc1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 91.97 | NumAromaticRings: | 2 |
