Glycoside
GD004721
Name:
NoneFormula:
C29H32O8N7PClSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](CCOc1ccc(Cl)cc1)cn2[C@@H]1O[C@H](COP(=O)(O)NCCc2c[nH]c3ccccc23)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)NCCc1c[nH]c2ccccc12.Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(Cl)cc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 661.03 | Num_heavy_atoms: | 45 |
| TPSA: | 213.85 | 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 |
AD04083
Formula: C14H12O2N5Cl
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(Cl)cc1)=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.72 | Num_heavy_atoms: | 21 |
| TPSA: | 98.11 | NumAromaticRings: | 2 |
