Glycoside
GD014162
Name:
NoneFormula:
C26H38O12N9PSmiles:
CO[C@@H]1[C@H](OP(=O)(NCCCCCC(=O)O)OC[C@@H]2C[C@H](O)[C@H](n3ccc(N)nc3=O)O2)[C@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
Nc1ccn(C2OC(COP(=O)(O)NCCCCCC(=O)O)CC2O)c(=O)n1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 16 |
| MolWt: | 699.62 | Num_heavy_atoms: | 48 |
| TPSA: | 303.51 | NumAromaticRings: | 3 |
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 |
AD03695
Formula: C15H25O8N4P
Smiles:
Nc1ccn(C2OC(COP(=O)(O)NCCCCCC(=O)O)CC2O)c(=O)n1| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 420.36 | Num_heavy_atoms: | 28 |
| TPSA: | 186.23 | NumAromaticRings: | 1 |
