Glycoside
GD010681
Name:
NoneFormula:
C15H28O13N7P3SSmiles:
NC(CCSC(CP(=O)(O)OP(=O)(O)NP(=O)(O)O)[C@@H]1O[C@H](n2cnc3c2NC=NC3N)[C@H](O)[C@H]1O)C(=O)OAglycone:
NC(CCSCCP(=O)(O)OP(=O)(O)NP(=O)(O)O)C(=O)O.NC1N=CNC2=C1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.67 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 13 |
| MolWt: | 639.41 | Num_heavy_atoms: | 39 |
| TPSA: | 334.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD00537
Formula: C5H6N5
Smiles:
NC1N=CNC2=C1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.14 | Num_heavy_atoms: | 10 |
| TPSA: | 76.87 | NumAromaticRings: | 0 |
AD05603
Formula: C6H17O10N2P3S
Smiles:
NC(CCSCCP(=O)(O)OP(=O)(O)NP(=O)(O)O)C(=O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 402.2 | Num_heavy_atoms: | 22 |
| TPSA: | 216.71 | NumAromaticRings: | 0 |
