Glycoside
GD015965
Name:
NoneFormula:
C12H18O14N3P3Smiles:
CC#Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)nc1C(N)=OAglycone:
CC#CC1=C[N]N=C1C(N)=O.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 521.21 | Num_heavy_atoms: | 32 |
| TPSA: | 270.42 | NumAromaticRings: | 1 |
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 |
AD11546
Formula: C7H6ON3
Smiles:
CC#CC1=C[N]N=C1C(N)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.14 | Num_heavy_atoms: | 11 |
| TPSA: | 69.55 | NumAromaticRings: | 0 |
