Glycoside
GD017248
Name:
NoneFormula:
C20H26O19N8P4Smiles:
O=P(O)(OC[C@@H]1O[C@H](n2cnc3cncnc32)[C@H](O)[C@H]1O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3cncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2cncnc2[N]1.C1=Nc2cncnc2[N]1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 14 |
| MolWt: | 806.36 | Num_heavy_atoms: | 51 |
| TPSA: | 381.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD02144
Formula: C2H10O13P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 13 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 365.99 | Num_heavy_atoms: | 19 |
| TPSA: | 195.35 | NumAromaticRings: | 0 |
