Glycoside
GD014840
Name:
NoneFormula:
C18H18O7N5PSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(-c4ccc5cc[nH]c5c4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2-c2ccc3cc[nH]c3c2)[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 447.34 | Num_heavy_atoms: | 31 |
| TPSA: | 175.84 | NumAromaticRings: | 4 |
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 |
AD10873
Formula: C13H8N5
Smiles:
C1=Nc2c(ncnc2-c2ccc3cc[nH]c3c2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.24 | Num_heavy_atoms: | 18 |
| TPSA: | 68.03 | NumAromaticRings: | 3 |
