Glycoside
GD004793
Name:
NoneFormula:
C24H30O10N5PSSmiles:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CCSC[C@@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CCSC)C(=O)OC2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 11 |
| MolWt: | 611.57 | Num_heavy_atoms: | 41 |
| TPSA: | 221.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD04144
Formula: C15H21O7PS
Smiles:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CCSC)C(=O)OC2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 376.37 | Num_heavy_atoms: | 24 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
