Glycoside
GD100571
Name:
NoneFormula:
C17H19O7N6PSSmiles:
O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c(Nc4ccc5scnc5c4)ncnc32)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2ccc3scnc3c2)[N]1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.42 | Num_heavy_atoms: | 32 |
| TPSA: | 188.13 | NumAromaticRings: | 4 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD42451
Formula: C12H7N6S
Smiles:
C1=Nc2c(ncnc2Nc2ccc3scnc3c2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.3 | Num_heavy_atoms: | 19 |
| TPSA: | 77.16 | NumAromaticRings: | 3 |
