Glycoside
GD096042
Name:
NoneFormula:
C15H22O11N4P2Smiles:
O=P(O)(O)O[PH](O)(O)OC[C@H]1O[C@@H](n2cnc3c(OC4CC=CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=CCC(Oc2ncnc3c2N=C[N]3)C1.CO[PH](O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 496.31 | Num_heavy_atoms: | 32 |
| TPSA: | 218.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD36266
Formula: CH8O7P2
Smiles:
CO[PH](O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.02 | Num_heavy_atoms: | 10 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
AD40852
Formula: C10H9ON4
Smiles:
C1=CCC(Oc2ncnc3c2N=C[N]3)C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 201.21 | Num_heavy_atoms: | 15 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
