Glycoside
GD019647
Name:
NoneFormula:
C21H34O18N5P3Smiles:
O=P(O)(O)OC1[C@H](O)[C@@H](O[C@H]2[C@H](CO)OC(n3cnc4c(NC5CCCC5)ncnc43)[C@H]2OP(=O)(O)O)OC(CO)[C@H]1OP(=O)(O)OAglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 13 |
| MolWt: | 737.44 | Num_heavy_atoms: | 47 |
| TPSA: | 344.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
