Glycoside
GD036220
Name:
NoneFormula:
C17H25O15N4P3Smiles:
O=c1[nH]c(=NOCCCc2cccnc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1[nH]ccc(=NOCCCc2cccnc2)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 13 |
| MolWt: | 618.32 | Num_heavy_atoms: | 39 |
| TPSA: | 281.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD22867
Formula: C12H14O2N4
Smiles:
O=c1[nH]ccc(=NOCCCc2cccnc2)[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 246.27 | Num_heavy_atoms: | 18 |
| TPSA: | 83.13 | NumAromaticRings: | 2 |
