Glycoside
GD014879
Name:
NoneFormula:
C15H16O8N5PSmiles:
O=P(O)(O)OC[C@@H]1OC(n2cnc3c(O)nc(-c4cccnc4)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Oc1nc(-c2cccnc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.29 | Num_heavy_atoms: | 29 |
| TPSA: | 193.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD10900
Formula: C10H6ON5
Smiles:
Oc1nc(-c2cccnc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.19 | Num_heavy_atoms: | 16 |
| TPSA: | 85.36 | NumAromaticRings: | 2 |
