Glycoside
GD100470
Name:
NoneFormula:
C18H22O8N5PSmiles:
O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c(Nc4ccc5c(c4)CCO5)ncnc32)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2ccc3c(c2)CCO3)[N]1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.38 | Num_heavy_atoms: | 32 |
| TPSA: | 184.47 | NumAromaticRings: | 3 |
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 |
AD35750
Formula: C13H10ON5
Smiles:
C1=Nc2c(ncnc2Nc2ccc3c(c2)CCO3)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.26 | Num_heavy_atoms: | 19 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
