Glycoside
GD004101
Name:
NoneFormula:
C21H27O10N7P2Smiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)NCCc3c[nH]c4ccccc34)[C@H](O)[C@H]2O)c2nc(N)nc([O-])c21Aglycone:
COP(=O)(O)OP(=O)(O)NCCc1c[nH]c2ccccc12.C[N+]1=C[N]c2nc(N)nc([O-])c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.43 | Num_heavy_atoms: | 40 |
| TPSA: | 254.24 | NumAromaticRings: | 4 |
Unique Aglycone
AD03634
Formula: C11H16O6N2P2
Smiles:
COP(=O)(O)OP(=O)(O)NCCc1c[nH]c2ccccc12| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 334.2 | Num_heavy_atoms: | 21 |
| TPSA: | 120.88 | NumAromaticRings: | 2 |
AD03635
Formula: C6H6ON5
Smiles:
C[N+]1=C[N]c2nc(N)nc([O-])c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 91.97 | NumAromaticRings: | 1 |
