Glycoside
GD099230
Name:
NoneFormula:
C15H22O11N4P2Smiles:
C#CC[C@@H](C)Oc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1OAglycone:
C#CCC(C)Oc1ncnc2c1N=C[N]2.CO[PH](O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 9 |
| 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 |
AD42214
Formula: C10H9ON4
Smiles:
C#CCC(C)Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 201.21 | Num_heavy_atoms: | 15 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
